HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：TERT-RPE1

External ID: CHEMBL5724699

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL615013
ChEMBL Target Name: TERT-RPE1
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units
autophagy induction	=	-5.689	%
autophagy induction	=	-7.876	%
autophagy induction	=	-10.21	%
autophagy induction	=	-16.96	%
autophagy induction	=	-2.05	%
autophagy induction	=	-6.33	%
autophagy induction	=	-9.375	%
autophagy induction	=	-15.35	%
autophagy induction	=	0.4134	%
autophagy induction	=	0.2558	%
autophagy induction	=	-0.8322	%
autophagy induction	=	-6.302	%
autophagy induction	=	-7.977	%
autophagy induction	=	-6.312	%
autophagy induction	=	-1.357	%
autophagy induction	=	6.352	%
autophagy induction	=	-3.252	%
autophagy induction	=	-7.638	%
autophagy induction	=	-7.617	%
autophagy induction	=	-7.701	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Cyclin-dependent kinase 2

External ID: CHEMBL5062802

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL301
ChEMBL Target Name: Cyclin-dependent kinase 2
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0.1409	C	Thermal Shift Assay
Delta TM	=	-0.01457	C	Thermal Shift Assay
Delta TM	=	-0.19	C
Delta TM	=	1.16	C	Thermal Shift Assay
Delta TM	=	1.921	C	Thermal Shift Assay
Delta TM	=	-0.3406	C	Thermal Shift Assay
Delta TM	=	0.6	C	Thermal Shift Assay
Delta TM	=	-0.1127	C	Thermal Shift Assay
Delta TM	=	-1.169	C	Thermal Shift Assay
Delta TM	=	0.82	C
Delta TM	=	0.31	C	Thermal Shift Assay
Delta TM	=	-0.02	C	Thermal Shift Assay
Delta TM	=	0.46	C	Thermal Shift Assay
Delta TM	=	-1.475	C	Thermal Shift Assay
Delta TM	=	-0.6313	C	Thermal Shift Assay
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	-0.6762	C	Thermal Shift Assay
Delta TM	=	1.46	C	Thermal Shift Assay
Delta TM	=	0.98	C	Thermal Shift Assay
Delta TM	=	0.83	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Glycogen synthase kinase-3 beta

External ID: CHEMBL5065589

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL262
ChEMBL Target Name: Glycogen synthase kinase-3 beta
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	5.443	C	Thermal Shift Assay
Delta TM	=	-0.3085	C	Thermal Shift Assay
Delta TM	=	-0.7	C
Delta TM	=	-0.03	C	Thermal Shift Assay
Delta TM	=	11.17	C	Thermal Shift Assay
Delta TM	=	-1.553	C	Thermal Shift Assay
Delta TM	=	-0.29	C	Thermal Shift Assay
Delta TM	=	-0.3615	C	Thermal Shift Assay
Delta TM	=	0.0664	C	Thermal Shift Assay
Delta TM	=	-0.66	C
Delta TM	=	-0.06	C	Thermal Shift Assay
Delta TM	=	-0.21	C	Thermal Shift Assay
Delta TM	=	-0.26	C	Thermal Shift Assay
Delta TM	=	-1.145	C	Thermal Shift Assay
Delta TM	=	-0.6697	C	Thermal Shift Assay
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	-0.4876	C	Thermal Shift Assay
Delta TM	=	2.74	C	Thermal Shift Assay
Delta TM	=	0.22	C	Thermal Shift Assay
Delta TM	=	-0.06	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Glycogen synthase kinase-3 beta

External ID: CHEMBL5065846

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL262
ChEMBL Target Name: Glycogen synthase kinase-3 beta
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tyrosine-protein kinase ABL1

External ID: CHEMBL5060015

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1862
ChEMBL Target Name: Tyrosine-protein kinase ABL
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	2.866	C	Thermal Shift Assay
Delta TM	=	-0.1161	C	Thermal Shift Assay
Delta TM	=	0.32	C
Delta TM	=	0.12	C	Thermal Shift Assay
Delta TM	=	1.321	C	Thermal Shift Assay
Delta TM	=	-0.3289	C	Thermal Shift Assay
Delta TM	=	0.97	C	Thermal Shift Assay
Delta TM	=	-0.00477	C	Thermal Shift Assay
Delta TM	=	0.8545	C	Thermal Shift Assay
Delta TM	=	0.25	C
Delta TM	=	0.05	C	Thermal Shift Assay
Delta TM	=	0.01	C	Thermal Shift Assay
Delta TM	=	0.57	C	Thermal Shift Assay
Delta TM	=	-0.2514	C	Thermal Shift Assay
Delta TM	=	-0.09405	C	Thermal Shift Assay
Delta TM	=	0.1211	C	Thermal Shift Assay
Delta TM	=	0.2152	C	Thermal Shift Assay
Delta TM	=	4.95	C	Thermal Shift Assay
Delta TM	=	0.78	C	Thermal Shift Assay
Delta TM	=	0.49	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tyrosine-protein kinase ABL1

External ID: CHEMBL5060272

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1862
ChEMBL Target Name: Tyrosine-protein kinase ABL
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0.3893	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Mitogen-activated protein kinase 1

External ID: CHEMBL5066775

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4040
ChEMBL Target Name: MAP kinase ERK2
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0.5649	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Cyclin-dependent kinase 2

External ID: CHEMBL5063059

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL301
ChEMBL Target Name: Cyclin-dependent kinase 2
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	-0.005722	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Mitogen-activated protein kinase 1

External ID: CHEMBL5066518

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4040
ChEMBL Target Name: MAP kinase ERK2
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	-0.03532	C	Thermal Shift Assay
Delta TM	=	-0.09791	C	Thermal Shift Assay
Delta TM	=	-0.72	C
Delta TM	=	0.39	C	Thermal Shift Assay
Delta TM	=	0.6544	C	Thermal Shift Assay
Delta TM	=	0.01068	C	Thermal Shift Assay
Delta TM	=	0.05	C	Thermal Shift Assay
Delta TM	=	0.3911	C	Thermal Shift Assay
Delta TM	=	-0.1368	C	Thermal Shift Assay
Delta TM	=	0.38	C
Delta TM	=	0.18	C	Thermal Shift Assay
Delta TM	=	0.02	C	Thermal Shift Assay
Delta TM	=	0.24	C	Thermal Shift Assay
Delta TM	=	-0.1886	C	Thermal Shift Assay
Delta TM	=	-0.3286	C	Thermal Shift Assay
Delta TM	=	-0.9406	C	Thermal Shift Assay
Delta TM	=	-0.6238	C	Thermal Shift Assay
Delta TM	=	0.17	C	Thermal Shift Assay
Delta TM	=	0.35	C	Thermal Shift Assay
Delta TM	=	0.08	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bromodomain-containing protein 4

External ID: CHEMBL5060944

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1163125
ChEMBL Target Name: Bromodomain-containing protein 4
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units
Delta TM	=	-3.51	C
Delta TM	=	-12.67	C
Delta TM	=	-0.61	C
Delta TM	=	1.2	C
Delta TM	=	-2.16	C
Delta TM	=	-11.41	C
Delta TM	=	-0.76	C
Delta TM	=	-4.31	C
Delta TM	=	3.95	C
Delta TM	=	-0.38	C
Delta TM	=	-2.21	C
Delta TM	=	0.44	C
Delta TM	=	-2.86	C
Delta TM	=	0.42	C
Delta TM	=	-0.39	C
Delta TM	=	1.17	C
Delta TM	=	-2.45	C
Delta TM	=	-1.48	C
Delta TM	=	-0.92	C
Delta TM	=	-2.44	C

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bromodomain-containing protein 4

External ID: CHEMBL5061201

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1163125
ChEMBL Target Name: Bromodomain-containing protein 4
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0.4259	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Hepatocyte nuclear factor 4-alpha

External ID: CHEMBL5715444

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL5398
ChEMBL Target Name: Hepatocyte nuclear factor 4-alpha
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library Literature Data

Standard Type	Standard Relation	Standard Value
Remaining activity	=	0.9931

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Nuclear receptor subfamily 2 group E member 1

External ID: CHEMBL5715446

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1961788
ChEMBL Target Name: Nuclear receptor subfamily 2 group E member 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library Literature Data

Standard Type	Standard Relation	Standard Value
Remaining activity	=	0.883

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Nuclear receptor subfamily 2 group C member 1

External ID: CHEMBL5715445

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1961787
ChEMBL Target Name: Nuclear receptor subfamily 2 group C member 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library Literature Data

Standard Type	Standard Relation	Standard Value
Fold activation	=	1.188

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL4303810

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: SARS-CoV-2 Screening Data

Standard Type	Standard Relation	Standard Value	Activity Comment
Hit score	=	0.07667
Hit score	=	0.08432
Hit score	=	0.03233
Hit score	=	0.1032	N=2 (0.182401631,0.023899107)
Hit score	=	0.0587
Hit score	=	0.04532
Hit score	=	0.1213
Hit score	=	0.1255
Hit score	=	0.1871
Hit score	=	0.2217
Hit score	=	0.1243
Hit score	=	0.1603
Hit score	=	0.2724
Hit score	=	0.3773
Hit score	=	0.1041
Hit score	=	0.2216
Hit score	=	0.6828
Hit score	=	0.3285
Hit score	=	0.1291
Hit score	=	0.1698

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Steroidogenic factor 1

External ID: CHEMBL5715448

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4666
ChEMBL Target Name: Steroidogenic factor 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library Literature Data

Standard Type	Standard Relation	Standard Value
Fold activation	=	1.077

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Nuclear receptor subfamily 4immunitygroup A member 1

External ID: CHEMBL5715447

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1293229
ChEMBL Target Name: Nuclear receptor subfamily 4immunitygroup A member 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library Literature Data

Standard Type	Standard Relation	Standard Value
Remaining activity	=	0.8372

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Retinoic acid receptor RXR-alpha

External ID: CHEMBL5715450

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL2061
ChEMBL Target Name: Retinoic acid receptor RXR-alpha
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library Literature Data

Standard Type	Standard Relation	Standard Value	Standard Units
Relative activation	=	0.6346	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tegument protein VP16

External ID: CHEMBL5715449

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL5724583
ChEMBL Target Name: Alpha trans-inducing protein
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library Literature Data

Standard Type	Standard Relation	Standard Value
P-value	=	5.568E-4

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Aurora kinase A

External ID: CHEMBL5067447

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4722
ChEMBL Target Name: Serine/threonine-protein kinase Aurora-A
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0.05675	C	Thermal Shift Assay
Delta TM	=	0.06056	C	Thermal Shift Assay
Delta TM	=	-0.26	C
Delta TM	=	0.05	C	Thermal Shift Assay
Delta TM	=	0.2158	C	Thermal Shift Assay
Delta TM	=	0.1132	C	Thermal Shift Assay
Delta TM	=	-0.21	C	Thermal Shift Assay
Delta TM	=	0.07973	C	Thermal Shift Assay
Delta TM	=	0.3724	C	Thermal Shift Assay
Delta TM	=	-0.3	C
Delta TM	=	-0.04	C	Thermal Shift Assay
Delta TM	=	-0.08	C	Thermal Shift Assay
Delta TM	=	-0.49	C	Thermal Shift Assay
Delta TM	=	0.08515	C	Thermal Shift Assay
Delta TM	=	0.01057	C	Thermal Shift Assay
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	0.1944	C	Thermal Shift Assay
Delta TM	=	2.51	C	Thermal Shift Assay
Delta TM	=	-0.01	C	Thermal Shift Assay
Delta TM	=	-0.24	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Aurora kinase A

External ID: CHEMBL5067704

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4722
ChEMBL Target Name: Serine/threonine-protein kinase Aurora-A
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0.1295	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Casein kinase I isoform delta

External ID: CHEMBL5063731

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL2828
ChEMBL Target Name: Casein kinase I delta
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	6.701	C	Thermal Shift Assay
Delta TM	=	-0.2558	C	Thermal Shift Assay
Delta TM	=	-0.1	C
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	0.7084	C	Thermal Shift Assay
Delta TM	=	0.1261	C	Thermal Shift Assay
Delta TM	=	-0.03	C	Thermal Shift Assay
Delta TM	=	-0.01222	C	Thermal Shift Assay
Delta TM	=	0.1456	C	Thermal Shift Assay
Delta TM	=	0.25	C
Delta TM	=	0.37	C	Thermal Shift Assay
Delta TM	=	0.18	C	Thermal Shift Assay
Delta TM	=	0.03	C	Thermal Shift Assay
Delta TM	=	-0.1697	C	Thermal Shift Assay
Delta TM	=	0.01025	C	Thermal Shift Assay
Delta TM	=	0.1725	C	Thermal Shift Assay
Delta TM	=	-0.1915	C	Thermal Shift Assay
Delta TM	=	1.62	C	Thermal Shift Assay
Delta TM	=	1.03	C	Thermal Shift Assay
Delta TM	=	-0.03	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Casein kinase I isoform delta

External ID: CHEMBL5063988

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL2828
ChEMBL Target Name: Casein kinase I delta
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0.3039	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：15316 靶标：N/A

External ID: s-dipg-DIPG17_CTG48h_mipe5_0-1

Protocol: JHH-DIPG-1, SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV were seeded into 1536 well white polystyrene tissue culture treated Corning plates using a MultiDrop Combi dispenser (ThermoFisher Scientific) and small cassette in 5 microL their normal growth media. Growth media was composed of 50% Neurobasal A, 50% DMEM/F12, as well as HEPES, sodium pyruvate, non-essential amino acids, GlutaMAX-I and antibiotic-antimycotic, B27 supplement without Vitamin A, human EGF, human FGF basic, human PDGF-AA and PDGF-BB, and heparin. Each cell line was plated at varying cell densities to allow cells to be in log growth phase at the time of compound addition. 23nL of MIPE 4.0 or MIPE 5.0 compounds as well as controls were added using a pintool dispenser. Controls used were DMSO only (positive control), 9.2uM Bortezomib and empty wells (negative controls). Compound addition occurred 4 hours after cell plating for SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV and 24 hours after cell plating for JHH-DIPG-1. Plates were then incubated for 48 hours at 37 degrees C/95% relative humidity/5% CO2, covered by a stainless steel gasketed lid to prevent evaporation. 3 microL of Cell Titer Glo (Promega) or CellTiter-Fluor (Promega) was added to each well using a solenoid valve dispenser then plates were incubated at room temperature for 15 minutes with a stainless steel lid in place. Luminescence readings were taken using a Viewlux (PerkinElmer) with a 2 second exposure time per plate. Relative luminscense units were used to calculate compound dose response curves which were normalized to DMSO and empty well controls on each plate for 100% cell viability and 0% cell viability, respectively.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.

2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

3. Detailed PUBCHEM_ACTIVITY_SCORE calculation formula:
a. 80 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.1
b. 60 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.2 and abs(max response) < 40
c. 40 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -2.1 or [curve class = -2.2 and abs(max response)] < 40
d. 20 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = (-1.2 or -2.2) and abs(max response) >= 40
e. 20, if curve class = -1.3, -1.4, -2.3, -2.4, -3
f. 10, if curve class > 0 but not fit the above categories
g. 0, if curve class = 4

Phenotype	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at Concentration_0 %	Activity at Concentration_1 %	Activity at Concentration_2 %	Activity at Concentration_3 %	Activity at Concentration_4 %	Activity at Concentration_5 %	Activity at Concentration_6 %	Activity at Concentration_7 %	Activity at Concentration_8 %	Activity at Concentration_9 %	Activity at Concentration_10 %	Concentration_0 uM	Concentration_1 uM	Concentration_2 uM	Concentration_3 uM	Concentration_4 uM	Concentration_5 uM	Concentration_6 uM	Concentration_7 uM	Concentration_8 uM	Concentration_9 uM	Concentration_10 uM	Compound_QC
Cytotoxic	20.91768	135.9020498	20	Partial curve; high efficacy; poor fit	-4.6794864767	1.4641	0.8863980421	-16.5589936	119.3430562	-2.3	0 0 0 0 0 0 0 1 0 0 0	8.15047	131.697788	109.471717	99.601696	111.432731	110.167865	107.976429	125.741198	-0.738606	94.967604	78.154316	8.15047	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		101.253926	127.324571	115.767189	125.696193	113.041352	129.390266	119.240485	122.258886	123.363896	127.713639	124.999902	101.253926	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Tocris
Inconclusive	0.001662	98.9862637701	10	Complete curve; high efficacy	-8.7794864767	4.9549173134	0.8750837011	105.89072187	6.9044580999	1.1	0 0 0 0 0 0 0 0 0 0 0	86.657668	9.190515	91.350045	120.000704	106.602421	91.354789	123.49336	101.116966	114.944989	105.541353	103.42099	86.657668	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		81.748763	91.078132	97.941934	109.017098	84.606499	82.718241	93.330539	82.104696	90.310441	79.427733	70.235262	81.748763	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Glixx
Inactive			0					0	0	4		27.479238	29.807499	23.754826	37.550119	52.467262	49.638778	44.971419	49.443173	41.199989	44.191538	31.100528	27.479238	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by DC Chemicals
Inactive			0					0	0	4		88.796894	88.932483	107.805452	118.329115	115.576179	104.531392	105.666526	28.456989	31.995075	108.633009	116.55604	88.796894	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Cytotoxic	0.066148	106.5968118141	92	Complete curve; high efficacy	-7.1794864767	2.3331733767	0.9856060804	10.6438142359	117.24062605	-1.1	0 0 0 0 0 0 0 0 0 0 0	7.74429	111.298727	110.14607	116.182798	126.582271	65.374714	17.765909	13.337758	10.270839	13.965139	10.581737	7.74429	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Cayman
Cytotoxic	0.052543	84.93983916	92	Complete curve; high efficacy	-7.2794864767	2.3331733767	0.9909197741	14.87277884	99.812618	-1.1	0 0 0 0 0 0 0 0 0 0 0	11.386841	92.812618	99.298943	107.331073	89.665645	50.969665	18.132435	17.03287	14.615665	17.164667	15.085759	11.386841	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Prestwick
Cytotoxic	20.91768	39.02746125	20	Single point of activity	-4.6794864767	4.5044702849	0.763313211	72.8772605	111.90472175	-3	0 0 0 0 0 0 0 0 0 0 0	74.960448	107.674873	99.350847	115.643094	110.012967	111.330367	117.512906	105.286877	120.363473	118.025882	104.431378	74.960448	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		96.125208	106.000805	107.980951	136.360291	123.114488	114.464932	105.828212	124.785229	105.721751	109.721799	110.009117	96.125208	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Selleck
Inactive			0					0	0	4		110.838301	118.188736	108.142055	118.143856	124.683861	119.252339	115.550272	104.140519	99.571981	102.206837	100.779485	110.838301	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Cytotoxic	0.026334	55.43215625	20	Complete curve; partial efficacy	-7.5794864767	4.4494702849	0.9488906954	49.9672315	105.39938775	-1.2	0 0 0 0 0 0 1 0 0 0 0	46.220357	98.500877	99.546935	118.250142	90.963003	49.961845	50.487433	7.90434	58.578227	48.293009	46.646938	46.220357	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Cytotoxic	16.615504	81.1866300801	41	Partial curve; partial efficacy	-4.7794864767	3.0654483358	0.9311904775	10.1155169199	91.302147	-2.2	0 0 0 0 0 0 0 0 0 0 0	11.748389	93.391993	85.520473	100.053426	91.880897	102.646849	84.985	92.113243	78.142173	93.007334	55.229592	11.748389	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by APExBIO
Inactive			0					0	0	4		107.882632	102.005025	115.270626	121.618589	129.745949	119.314252	113.120462	119.925832	116.630404	129.198219	118.287154	107.882632	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by SIGMA
Cytotoxic	0.525428	55.4400138501	20	Complete curve; partial efficacy; poor fit	-6.2794864767	0.5999999999	0.9033965994	59.8369305999	115.27694445	-1.4	0 0 0 0 0 0 0 1 0 0 0	65.952132	113.14587	111.366916	108.039429	121.569171	96.369545	88.541031	95.598486	-3.272222	68.190148	64.19066	65.952132	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		116.426606	111.728695	104.661632	102.908207	118.66169	104.411628	131.616847	111.339177	109.683848	122.089515	104.570541	116.426606	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		111.563029	101.245309	110.806676	89.948055	93.03796	105.555666	98.878441	90.744257	99.278629	93.092724	102.478972	111.563029	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		94.312646	116.364291	96.723392	93.38067	103.194576	118.534626	35.530657	103.978128	2.541336	104.045452	106.423929	94.312646	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		107.998615	126.055741	109.890503	106.947021	103.860523	117.062791	125.189833	118.834353	30.450566	90.927945	102.053553	107.998615	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		92.894063	116.016249	111.275428	116.926942	115.585332	107.208781	122.053665	115.772929	95.055545	109.970305	96.255476	92.894063	0.00156	0.0046799999999	0.014	0.0421	0.126	0.379	1.1399999999	3.41	10.199999999	30.7	92.2	QC'd by Tocris

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Homo sapiens

External ID: CHEMBL4029349

Protocol: N/A

Comment: Journal: Drug Discov Today
Year: 2016
Volume: 21
Issue: 4
First Page: 648
Last Page: 653
DOI: 10.1016/j.drudis.2016.02.015

Target ChEMBL ID: CHEMBL372
ChEMBL Target Name: Homo sapiens
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
DILI_severity_class	=	3
DILI_severity_class	=	3
DILI_severity_class	=	3
DILI_severity_class	=	8
DILI_severity_class	=	7
DILI_severity_class	=	3
DILI_severity_class	=	0
DILI_severity_class	=	0
DILI_severity_class	=	3
DILI_severity_class	=	5
DILI_severity_class	=	0
DILI_severity_class	=	8
DILI_severity_class	=	8
DILI_severity_class	=	4
DILI_severity_class	=	5
DILI_severity_class	=	0
DILI_severity_class	=	8
DILI_severity_class	=	8
DILI_severity_class	=	5
DILI_severity_class	=	8

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：15316 靶标：N/A

External ID: s-dipg-dipg13-1

Protocol: JHH-DIPG-1, SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV were seeded into 1536 well white polystyrene tissue culture treated Corning plates using a MultiDrop Combi dispenser (ThermoFisher Scientific) and small cassette in 5 microL their normal growth media. Growth media was composed of 50% Neurobasal A, 50% DMEM/F12, as well as HEPES, sodium pyruvate, non-essential amino acids, GlutaMAX-I and antibiotic-antimycotic, B27 supplement without Vitamin A, human EGF, human FGF basic, human PDGF-AA and PDGF-BB, and heparin. Each cell line was plated at varying cell densities to allow cells to be in log growth phase at the time of compound addition. 23nL of MIPE 4.0 or MIPE 5.0 compounds as well as controls were added using a pintool dispenser. Controls used were DMSO only (positive control), 9.2uM Bortezomib and empty wells (negative controls). Compound addition occurred 4 hours after cell plating for SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV and 24 hours after cell plating for JHH-DIPG-1. Plates were then incubated for 48 hours at 37 degrees C/95% relative humidity/5% CO2, covered by a stainless steel gasketed lid to prevent evaporation. 3 microL of Cell Titer Glo (Promega) or CellTiter-Fluor (Promega) was added to each well using a solenoid valve dispenser then plates were incubated at room temperature for 15 minutes with a stainless steel lid in place. Luminescence readings were taken using a Viewlux (PerkinElmer) with a 2 second exposure time per plate. Relative luminscense units were used to calculate compound dose response curves which were normalized to DMSO and empty well controls on each plate for 100% cell viability and 0% cell viability, respectively.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.

2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

3. Detailed PUBCHEM_ACTIVITY_SCORE calculation formula:
a. 80 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.1
b. 60 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.2 and abs(max response) < 40
c. 40 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -2.1 or [curve class = -2.2 and abs(max response)] < 40
d. 20 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = (-1.2 or -2.2) and abs(max response) >= 40
e. 20, if curve class = -1.3, -1.4, -2.3, -2.4, -3
f. 10, if curve class > 0 but not fit the above categories
g. 0, if curve class = 4

Phenotype	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at Concentration_0 %	Activity at Concentration_1 %	Activity at Concentration_2 %	Activity at Concentration_3 %	Activity at Concentration_4 %	Activity at Concentration_5 %	Activity at Concentration_6 %	Activity at Concentration_7 %	Activity at Concentration_8 %	Activity at Concentration_9 %	Activity at Concentration_10 %	Concentration_0 uM	Concentration_1 uM	Concentration_2 uM	Concentration_3 uM	Concentration_4 uM	Concentration_5 uM	Concentration_6 uM	Concentration_7 uM	Concentration_8 uM	Concentration_9 uM	Concentration_10 uM	Compound_QC
Cytotoxic	18.654798	76.808559625	41	Partial curve; partial efficacy	-4.7292094394	3.0654483358	0.9414919608	29.442759665	106.25131929	-2.2	0 0 0 0 0 0 0 0 0 0 0	30.27357275	97.75131929	110.96398479	114.70514757	113.90944062	104.95218365	104.73752962	101.81310364	97.65908171	107.5307316	77.55361607	30.27357275	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Inactive			0					0	0	4		111.25210048	108.08852913	103.99505755	112.48112328	114.42023159	118.08354736	119.1731834	107.26588062	108.35780014	113.95755775	125.34705055	111.25210048	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by NCI
Inactive			0					0	0	4		90.34249751	104.09274893	105.20263037	105.61416409	110.5838591	106.3916678	109.9830898	105.51570293	106.97760681	107.19347443	113.62489677	90.34249751	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Tocris
Inactive			0					0	0	4		90.62683631	108.20847195	110.02552504	108.31342383	99.57695188	102.35810231	105.67655278	106.46160798	93.84066361	94.62277902	94.49547478	90.62683631	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Inactive			0					0	0	4		73.49593626	74.56771201	67.22319224	74.83960354	71.96667779	71.30708714	66.27352895	65.81066525	70.87800447	69.77634766	68.35881345	73.49593626	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by SIGMA
Inactive			0					0	0	4		100.80334725	107.18696296	113.54147863	109.88500611	108.16535841	110.45360204	118.68674971	111.90131947	109.10115523	108.69287322	101.81464372	100.80334725	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Cytotoxic	18.654798	128.3222423405	41	Partial curve; high efficacy	-4.7292094394	0.5	0.8260445535	-24.6555320375	103.666710303	-2.1	0 0 0 0 0 0 0 0 0 0 0	4.94574858	97.44975051	104.80699302	107.81980289	108.56174513	99.03781371	74.35265517	76.49985557	67.54882553	72.14612004	63.17489528	4.94574858	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by NCI
Cytotoxic	8.332792	49.5245107862	21	Partial curve; partial efficacy	-5.0792094394	1.0999999999	0.9340057086	63.4615329228	112.986043709	-2.2	0 0 0 0 0 0 0 0 0 0 0	68.38200883	111.88349604	110.78480124	117.35653214	111.44884197	114.10667629	109.45950549	110.63057916	112.57592976	87.57458275	85.19588278	68.38200883	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by SIGMA
Cytotoxic	20.931028	52.9277795447	20	Partial curve; partial efficacy	-4.6792094394	1.826479391	0.8959578831	51.0365606063	103.964340151	-2.2	0 0 0 0 0 0 0 0 0 0 0	57.95409763	107.36507637	107.17823021	104.02235982	94.4921874	107.49444479	111.96145982	101.69170518	100.82766408	96.67737263	87.94223064	57.95409763	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Tocris
Inactive			0					0	0	4		93.80688079	105.91141378	109.76666813	105.60538992	104.35370756	105.24631953	108.36565168	100.03900809	100.24922816	104.67083317	97.341096	93.80688079	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by BIOMOL
Inactive			0					0	0	4		98.70583996	126.39124083	111.66855536	116.29448449	114.82242189	109.34513444	119.78798385	112.15214192	106.82869368	111.55826141	103.30913654	98.70583996	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Cytotoxic	16.626107	42.7258053011	20	Partial curve; partial efficacy	-4.7792094394	2.4063783767	0.8933594706	70.8520092569	113.577814558	-2.2	0 0 0 0 0 0 0 0 0 0 0	74.12835756	105.20132442	116.30007365	112.09969138	109.39798456	114.10565454	122.89325894	115.37653246	114.53022731	110.5493031	94.86350674	74.12835756	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Tocris
Cytotoxic	4.685874	57.4776960986	22	Partial curve; partial efficacy	-5.3292094394	1.031	0.9558389896	46.5742305114	104.05192661	-2.2	0 0 0 0 0 0 0 0 0 0 0	47.57379318	97.55192661	104.75001073	102.33379056	104.27269654	106.53564837	102.23281122	103.05926072	88.31527956	69.1872601	67.17988559	47.57379318	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by BIOMOL
Cytotoxic	11.770382	81.6415405989	42	Partial curve; partial efficacy	-4.9292094394	1.9673362061	0.9489717408	19.3757505781	101.017291177	-2.2	0 0 0 0 0 0 0 0 0 0 0	26.03678554	109.34845847	103.55281259	96.29692439	99.49158457	104.77927742	99.00538595	87.49135911	104.17858269	93.29787868	46.11780089	26.03678554	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by SigmaAldrich
Cytotoxic	16.626107	60.711685678	20	Partial curve; partial efficacy	-4.7792094394	2.7202212143	0.9446112083	68.4038452055	129.1155308835	-2.2	0 0 0 0 0 0 0 0 0 0 0	69.54187483	126.53578145	125.86799693	132.01561973	137.94688616	131.66487601	126.96787285	120.75545832	130.35184884	125.51865498	104.74744388	69.54187483	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Inactive			0					0	0	4		105.51576369	117.26650771	109.56295975	118.94536543	117.99469881	124.70586193	113.69785999	123.35194626	127.72515739	110.2443032	106.56227166	105.51576369	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by BIOMOL
Cytotoxic	16.626107	31.798368568	20	Partial curve; partial efficacy; poor fit	-4.7792094394	0.9999999999	0.8572308578	80.055798082	111.85416665	-2.4	0 0 0 0 0 0 0 0 0 0 0	86.93885951	111.35416665	106.33121206	113.83039806	113.47880072	112.2279335	109.56607308	114.5451024	111.21795524	98.87826	99.99078889	86.93885951	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Inactive			0					0	0	4		107.26843486	94.81610914	97.85532364	98.43640688	108.09969525	106.56987259	104.00075757	108.99553456	110.26329675	109.82586403	109.59758461	107.26843486	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Cytotoxic	33.173444	36.824013528	20	Single point of activity	-4.4792094394	4.9549173134	0.7206002919	93.967106552	130.79112008	-3	0 0 0 0 0 0 0 0 0 0 0	99.85444214	129.29112008	118.86909356	138.62777447	136.41063945	133.01349789	136.94248613	132.8609025	126.11539145	125.22958192	130.35553402	99.85444214	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Cytotoxic	18.654798	36.650787941	20	Partial curve; partial efficacy	-4.7292094394	2.1210667061	0.8930806089	77.583548589	114.23433653	-2.2	0 0 0 0 0 0 0 0 0 0 0	79.65102944	110.23433653	112.21128139	115.61730723	109.40827002	118.6066903	120.14283511	112.66406253	116.70637962	107.74185795	100.95338547	79.65102944	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by BIOMOL

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：U2OS

External ID: CHEMBL4689853

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL615023
ChEMBL Target Name: U2OS
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Control DMSO Fragmented Nuclei %	=	7	%	Multiplex
Control DMSO Pyknosed Nuclei (%)	=	4	%	Multiplex
Control DMSO Mitotic Cells (%)	=	75	%	Multiplex
Control DMSO Tubulin Phenotype Different Cells (%)	=	27	%	Multiplex
Control DMSO Mitochondria Different-Phenotype Cells (%)	=	24	%	Multiplex
Control DMSO Membrane Permeable-Phenotype Cells (%)	=	9	%	Multiplex
Control DMSO Growth Rate	=	1	%	Multiplex
Population Hoechst High Intensity Objects (%)	=	14	%	Multiplex
Population Normal (%)	=	85	%	Multiplex
Population Apoptotic (%)	=	100	%	Multiplex
Population Healthy Nuclei (%)	=	86	%	Multiplex
Population Fragmented Nuclei (%)	=	12	%	Multiplex
Population Pyknosed Nuclei (%)	=	1	%	Multiplex
Population Mitotic Cells (%)	=	0	%	Multiplex
Population Tubulin-Different-Phenotype (%)	=	26	%	Multiplex
Population Mitochondria Different-Phenotype (%)	=	35	%	Multiplex
Population Membrane Permeable-Phenotype (%)	=	30	%	Multiplex
Control DMSO Total Cells	=	139	%	Multiplex
Control DMSO Apoptotic Cells (%)	=	24	%	Multiplex
Control DMSO Healthy Nuclei (%)	=	88	%	Multiplex

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Homo sapiens

External ID: CHEMBL4029350

Protocol: N/A

Comment: Journal: Drug Discov Today
Year: 2016
Volume: 21
Issue: 4
First Page: 648
Last Page: 653
DOI: 10.1016/j.drudis.2016.02.015

Target ChEMBL ID: CHEMBL372
ChEMBL Target Name: Homo sapiens
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
DILI_Concern	Ambiguous-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	Ambiguous-Dili-Concern
DILI_Concern	Most-Dili-Concern
DILI_Concern	Most-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	No-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	Ambiguous-Dili-Concern
DILI_Concern	No-Dili-Concern
DILI_Concern	Most-Dili-Concern
DILI_Concern	Most-Dili-Concern
DILI_Concern	Ambiguous-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	No-Dili-Concern
DILI_Concern	Most-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	Most-Dili-Concern

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Peregrin

External ID: CHEMBL5061873

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL3132741
ChEMBL Target Name: Peregrin
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0.2971	C	Thermal Shift Assay
Delta TM	=	0.5753	C	Thermal Shift Assay
Delta TM	=	0.4361	C	Thermal Shift Assay
Delta TM	=	-0.4298	C	Thermal Shift Assay
Delta TM	=	0.02717	C	Thermal Shift Assay
Delta TM	=	-5.472	C	Thermal Shift Assay
Delta TM	=	-1.59	C	Thermal Shift Assay
Delta TM	=	-0.2291	C	Thermal Shift Assay
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	-0.3072	C	Thermal Shift Assay
Delta TM	=	-0.02679	C	Thermal Shift Assay
Delta TM	=	-0.8431	C	Thermal Shift Assay
Delta TM	=	-2.387	C	Thermal Shift Assay
Delta TM	=	0.1799	C	Thermal Shift Assay
Delta TM	=	-1.436	C	Thermal Shift Assay
Delta TM	=	-1.017	C	Thermal Shift Assay
Delta TM	=	1.328	C	Thermal Shift Assay
Delta TM	=	1.119	C	Thermal Shift Assay
Delta TM	=	-1.439	C	Thermal Shift Assay
Delta TM	=	-0.7527	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：15316 靶标：N/A

External ID: s-dipg-dipg1-1

Protocol: JHH-DIPG-1, SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV were seeded into 1536 well white polystyrene tissue culture treated Corning plates using a MultiDrop Combi dispenser (ThermoFisher Scientific) and small cassette in 5 microL their normal growth media. Growth media was composed of 50% Neurobasal A, 50% DMEM/F12, as well as HEPES, sodium pyruvate, non-essential amino acids, GlutaMAX-I and antibiotic-antimycotic, B27 supplement without Vitamin A, human EGF, human FGF basic, human PDGF-AA and PDGF-BB, and heparin. Each cell line was plated at varying cell densities to allow cells to be in log growth phase at the time of compound addition. 23nL of MIPE 4.0 or MIPE 5.0 compounds as well as controls were added using a pintool dispenser. Controls used were DMSO only (positive control), 9.2uM Bortezomib and empty wells (negative controls). Compound addition occurred 4 hours after cell plating for SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV and 24 hours after cell plating for JHH-DIPG-1. Plates were then incubated for 48 hours at 37 degrees C/95% relative humidity/5% CO2, covered by a stainless steel gasketed lid to prevent evaporation. 3 microL of Cell Titer Glo (Promega) or CellTiter-Fluor (Promega) was added to each well using a solenoid valve dispenser then plates were incubated at room temperature for 15 minutes with a stainless steel lid in place. Luminescence readings were taken using a Viewlux (PerkinElmer) with a 2 second exposure time per plate. Relative luminscense units were used to calculate compound dose response curves which were normalized to DMSO and empty well controls on each plate for 100% cell viability and 0% cell viability, respectively.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.

2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

3. Detailed PUBCHEM_ACTIVITY_SCORE calculation formula:
a. 80 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.1
b. 60 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.2 and abs(max response) < 40
c. 40 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -2.1 or [curve class = -2.2 and abs(max response)] < 40
d. 20 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = (-1.2 or -2.2) and abs(max response) >= 40
e. 20, if curve class = -1.3, -1.4, -2.3, -2.4, -3
f. 10, if curve class > 0 but not fit the above categories
g. 0, if curve class = 4

Phenotype	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at Concentration_0 %	Activity at Concentration_1 %	Activity at Concentration_2 %	Activity at Concentration_3 %	Activity at Concentration_4 %	Activity at Concentration_5 %	Activity at Concentration_6 %	Activity at Concentration_7 %	Activity at Concentration_8 %	Activity at Concentration_9 %	Activity at Concentration_10 %	Concentration_0 uM	Concentration_1 uM	Concentration_2 uM	Concentration_3 uM	Concentration_4 uM	Concentration_5 uM	Concentration_6 uM	Concentration_7 uM	Concentration_8 uM	Concentration_9 uM	Concentration_10 uM	Compound_QC
Inactive			0					0	0	4		80.02148234	101.20788139	97.84888687	105.89636326	108.29320283	92.87444659	100.6145616	108.9874745	114.18790217	110.14735973	108.95928436	80.02148234	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Inactive			0					0	0	4		90.00912212	99.13660484	93.65322734	102.9308869	106.74859084	114.00932699	91.84607188	117.54473285	102.12797932	101.84760282	100.44909944	90.00912212	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by NCI
Inactive			0					0	0	4		104.37229643	98.52229925	103.20265367	106.43349735	104.0043821	97.91470584	110.41676018	102.62513663	92.20411391	104.37546884	104.77028463	104.37229643	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Tocris
Cytotoxic	18.654798	37.616278766	20	Partial curve; partial efficacy	-4.7292094394	1.4163171	0.8211844825	56.913443282	94.529722048	-2.2	0 0 0 0 0 0 0 0 0 0 0	62.94234808	93.08687207	94.5024496	90.18207737	96.6648236	104.08534852	87.38668143	92.50686287	97.07823082	85.10390275	80.35836909	62.94234808	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Inactive			0					0	0	4		15.17791766	28.49617118	28.03964463	26.8550491	27.59274956	29.44986357	28.00615282	23.74535952	21.71519271	21.61993563	17.0702637	15.17791766	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by SIGMA
Inactive			0					0	0	4		91.02564581	101.30416909	95.64214437	102.90155409	109.35453841	107.75350194	105.23077412	107.59231016	101.85251264	94.50915691	108.65986619	91.02564581	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Cytotoxic	0.104904	73.6851191448	91	Complete curve; high efficacy	-6.9792094394	2.1876167061	0.9396542585	14.1020125492	87.787131694	-1.1	0 0 0 0 0 0 0 0 0 0 0	-6.6794886	87.78188026	84.26488908	82.86217831	93.26799706	69.53526432	29.17344111	24.36875227	22.22750511	24.88975368	9.6824185	-6.6794886	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by NCI
Cytotoxic	8.332792	98.2330426078	42	Partial curve; partial efficacy	-5.0792094394	0.5	0.9081850033	13.9254127331	112.1584553409	-2.2	0 0 0 0 0 0 0 0 0 0 0	38.90457145	116.96444244	106.70964546	112.90951135	94.00388537	114.72592704	102.57897056	81.01676248	86.75494487	64.88925627	62.49763109	38.90457145	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by SIGMA
Cytotoxic	33.173444	81.7661453151	20	Partial curve; partial efficacy; poor fit	-4.4792094394	1.0999999999	0.7603079021	36.1651942679	117.931339583	-2.4	0 0 0 0 0 0 0 0 0 0 0	57.63813278	124.74106563	120.83117045	106.56557675	125.73539325	107.84912617	109.35480939	110.1427275	119.0660228	111.91276776	107.05357281	57.63813278	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Tocris
Inactive			0					0	0	4		96.56442579	112.64563791	106.67851163	106.48140286	108.07783328	109.93220077	100.05085456	101.24669384	104.30515091	100.06348297	91.19724906	96.56442579	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by BIOMOL
Inactive			0					0	0	4		108.39462009	98.25519315	96.89040283	98.80692087	89.47239116	116.94004872	106.69855458	99.52163332	105.5970888	89.69025639	102.01012103	108.39462009	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Inactive			0					0	0	4		103.30028257	109.88922114	114.35202169	101.25379107	116.73747642	116.62274078	117.56152923	105.75698573	104.05591185	99.96911504	100.64180036	103.30028257	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Tocris
Cytotoxic	26.350603	48.1312982876	20	Single point of activity	-4.5792094394	4.5044702849	0.9325915091	58.5883265004	106.719624788	-3	0 0 0 0 0 0 0 0 0 0 0	62.43210451	105.69391079	111.78243894	103.30489792	109.87335245	106.11935257	112.17496453	106.73843833	106.7328653	99.60485055	102.93427107	62.43210451	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by BIOMOL
Cytotoxic	0.166261	29.6931329945	20	Complete curve; partial efficacy; poor fit	-6.7792094394	4.9549173134	0.7558977655	60.5509543685	90.244087363	-1.4	0 0 0 0 0 0 0 1 0 0 0	56.65038458	92.54062704	81.75707654	94.17358528	84.50434865	98.72439218	70.23453612	45.75899541	99.55890987	74.41028176	65.14395292	56.65038458	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by SigmaAldrich
Cytotoxic	2.3485	74.0115103846	64	Complete curve; partial efficacy	-5.6292094394	2.7202212143	0.9611901811	36.3146660484	110.326176433	-1.2	0 0 0 0 0 0 0 0 0 0 0	33.1476328	110.52596674	95.26474848	120.14553587	113.36303646	106.72195122	108.09853152	114.62203058	90.71252135	41.8269676	41.45609081	33.1476328	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Inactive			0					0	0	4		90.83692284	112.78446799	97.83367665	97.45209098	98.67659948	93.46526699	113.97602208	103.17479917	101.31547085	99.1465157	101.95036465	90.83692284	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by BIOMOL
Cytotoxic	0.742661	51.2198390021	20	Complete curve; partial efficacy	-6.1292094394	1.6266150999	0.9781697494	43.9830030109	95.202842013	-1.2	0 0 0 0 0 0 0 0 0 0 0	47.14595624	97.52820683	94.6309102	89.45778359	94.8517101	99.60185165	87.14982733	79.16181168	51.6512351	46.9378582	41.34820348	47.14595624	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Inactive			0					0	0	4		111.67980436	106.93620156	115.92711263	103.11534475	92.5603588	96.07661586	102.003388	106.90718194	113.34671353	105.32142381	106.75152674	111.67980436	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Inactive			0					0	0	4		103.19509112	102.63676858	106.00743853	101.79435645	99.59140233	102.86428394	89.79656864	116.70125859	110.533025	115.4194969	105.38959667	103.19509112	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Microsource
Inconclusive	0.14818	26.1118091445	10	Complete curve; partial efficacy; poor fit	-6.8292094394	2.5884283767	0.6372821245	108.842497435	82.7306882905	1.4	0 0 0 0 0 0 0 0 0 0 0	113.27238293	95.86405699	90.87434175	68.50616548	76.01827819	84.25220202	100.69171801	99.90765787	123.29056993	109.10568359	96.75177301	113.27238293	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by BIOMOL

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Fibroblast

External ID: CHEMBL4725213

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL5314315
ChEMBL Target Name: Fibroblast
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value
Growth Rate	=	-0.32
Growth Rate	=	-0.85
Growth Rate	=	0.66
Growth Rate	=	0.58
Growth Rate	=	0.86
Growth Rate	=	0.06
Growth Rate	=	0.1
Growth Rate	=	0.63
Growth Rate	=	0.67
Growth Rate	=	0.46
Growth Rate	=	0.87
Growth Rate	=	0
Growth Rate	=	0.46
Growth Rate	=	0.87
Growth Rate	=	-0.42
Growth Rate	=	-0.57
Growth Rate	=	-0.81
Growth Rate	=	0.2
Growth Rate	=	0.77
Growth Rate	=	0.4

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Peregrin

External ID: CHEMBL5062130

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL3132741
ChEMBL Target Name: Peregrin
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	-0.79	C	Thermal Shift Assay

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：15316 靶标：N/A

External ID: s-dipg-dipg4-1

Protocol: JHH-DIPG-1, SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV were seeded into 1536 well white polystyrene tissue culture treated Corning plates using a MultiDrop Combi dispenser (ThermoFisher Scientific) and small cassette in 5 microL their normal growth media. Growth media was composed of 50% Neurobasal A, 50% DMEM/F12, as well as HEPES, sodium pyruvate, non-essential amino acids, GlutaMAX-I and antibiotic-antimycotic, B27 supplement without Vitamin A, human EGF, human FGF basic, human PDGF-AA and PDGF-BB, and heparin. Each cell line was plated at varying cell densities to allow cells to be in log growth phase at the time of compound addition. 23nL of MIPE 4.0 or MIPE 5.0 compounds as well as controls were added using a pintool dispenser. Controls used were DMSO only (positive control), 9.2uM Bortezomib and empty wells (negative controls). Compound addition occurred 4 hours after cell plating for SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV and 24 hours after cell plating for JHH-DIPG-1. Plates were then incubated for 48 hours at 37 degrees C/95% relative humidity/5% CO2, covered by a stainless steel gasketed lid to prevent evaporation. 3 microL of Cell Titer Glo (Promega) or CellTiter-Fluor (Promega) was added to each well using a solenoid valve dispenser then plates were incubated at room temperature for 15 minutes with a stainless steel lid in place. Luminescence readings were taken using a Viewlux (PerkinElmer) with a 2 second exposure time per plate. Relative luminscense units were used to calculate compound dose response curves which were normalized to DMSO and empty well controls on each plate for 100% cell viability and 0% cell viability, respectively.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.

2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

3. Detailed PUBCHEM_ACTIVITY_SCORE calculation formula:
a. 80 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.1
b. 60 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.2 and abs(max response) < 40
c. 40 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -2.1 or [curve class = -2.2 and abs(max response)] < 40
d. 20 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = (-1.2 or -2.2) and abs(max response) >= 40
e. 20, if curve class = -1.3, -1.4, -2.3, -2.4, -3
f. 10, if curve class > 0 but not fit the above categories
g. 0, if curve class = 4

Phenotype	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at Concentration_0 %	Activity at Concentration_1 %	Activity at Concentration_2 %	Activity at Concentration_3 %	Activity at Concentration_4 %	Activity at Concentration_5 %	Activity at Concentration_6 %	Activity at Concentration_7 %	Activity at Concentration_8 %	Activity at Concentration_9 %	Activity at Concentration_10 %	Concentration_0 uM	Concentration_1 uM	Concentration_2 uM	Concentration_3 uM	Concentration_4 uM	Concentration_5 uM	Concentration_6 uM	Concentration_7 uM	Concentration_8 uM	Concentration_9 uM	Concentration_10 uM	Compound_QC
Inactive			0					0	0	4		98.77331512	123.2845658	124.22532023	132.42168278	122.73550796	111.01210255	134.98009346	115.83579085	118.56248511	113.35744055	129.81428043	98.77331512	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Inactive			0					0	0	4		119.44881534	109.83018896	117.02998293	126.45599308	127.06811598	121.456866	131.3683505	119.81329395	123.80724109	123.24838168	118.59623701	119.44881534	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Inactive			0					0	0	4		110.87881988	114.39958966	116.66613661	109.85360943	104.2652387	109.37224839	115.41815248	99.95899055	105.60844763	93.93813577	98.62803566	110.87881988	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	26.350603	61.033556681	20	Partial curve; partial efficacy	-4.5792094394	2.1210667061	0.8450249404	50.112350959	111.14590764	-2.2	0 0 0 0 0 0 0 0 0 0 0	64.16308332	104.64590764	110.70237079	101.98494284	118.73590222	114.58142154	123.70475829	109.15274658	106.41644137	108.94385832	96.73436536	64.16308332	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Inactive			0					0	0	4		75.47371228	91.47572631	105.35863444	114.38172439	91.50636363	101.66145564	98.50857719	103.13317557	92.18644923	75.37608366	105.39962736	75.47371228	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	14.818033	163.6706241665	42	Partial curve; high efficacy	-4.8292094394	0.6	0.9154130691	-37.8989017252	125.7717224413	-2.1	0 0 0 0 0 0 0 0 0 0 0	2.88806183	130.34732294	125.4007174	130.03061643	133.61950465	106.89093846	95.56763364	100.84849073	106.47531158	67.23440779	55.81172002	2.88806183	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	14.818033	189.4732833109	42	Partial curve; high efficacy	-4.8292094394	0.7999999999	0.9446321131	-42.1225007104	147.3507826005	-2.1	0 0 0 0 0 0 0 0 0 0 0	6.1994028	157.20535127	136.45667282	157.80815156	128.96996883	152.89859536	154.05289872	127.31618916	104.58601948	94.79882601	61.10141999	6.1994028	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	0.525764	80.6418778234	86	Complete curve; high efficacy	-6.2792094394	1.713743691	0.9584109312	32.7920890891	113.4339669125	-1.1	0 0 0 0 0 0 0 0 0 0 0	38.19294078	111.12565965	98.81444384	125.02102314	118.72261409	116.35460457	92.56183302	77.39328556	36.99575263	31.18716839	32.47417278	38.19294078	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	0.468587	87.5556670721	20	Complete curve; partial efficacy	-6.3292094394	0.4	0.8594122407	58.3344169459	145.890084018	-1.2	0 0 0 0 0 0 0 0 0 0 0	74.78201593	152.80423557	133.3585485	114.85906231	126.90640989	119.44435453	110.00135107	119.68794549	79.8060996	77.72158358	73.66272005	74.78201593	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	5.257637	137.1088747497	84	Complete curve; high efficacy	-5.2792094394	1.21	0.9787381856	-12.362775991	124.7460987587	-1.1	0 0 0 0 0 0 0 0 0 0 0	2.77007793	133.22571518	118.42893444	125.77556798	122.09381015	122.14067217	130.91884055	106.25230607	96.50564171	64.14254587	6.17203652	2.77007793	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	5.257637	111.8493350946	84	Complete curve; high efficacy	-5.2792094394	3.1319983358	0.9675287911	3.4650734974	115.314408592	-1.1	0 0 0 0 0 0 0 0 0 0 0	4.75384297	101.73396708	111.53920858	118.32100118	107.71788088	116.03977031	134.09138118	112.08901549	117.9602775	58.86591679	7.23832945	4.75384297	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	0.058992	100.1299338576	90	Complete curve; high efficacy	-7.2292094394	1.5094870999	0.9904928958	28.9436150049	129.0735488625	-1.1	0 0 0 0 0 0 0 0 0 0 0	21.11222353	132.9892446	127.34565253	122.43296166	108.67216567	81.68532654	37.12142429	34.23813841	34.22135214	31.60651481	29.13345071	21.11222353	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Inactive			0					0	0	4		125.37272407	117.28007154	131.53955647	103.83963696	136.94222878	120.96241656	131.40391678	126.71766857	115.02203277	124.40944647	105.0942778	125.37272407	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Inactive			0					0	0	4		108.68213057	123.61195824	119.62845419	106.64034866	107.89742023	118.39177395	126.99486665	120.03507452	114.439606	116.47871958	107.89158702	108.68213057	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	0.018655	69.1979715489	76	Complete curve; partial efficacy	-7.7292094394	0.4	0.9457119077	-0.1492707979	69.048700751	-1.2	0 0 0 0 0 0 0 0 0 0 0	2.47763312	63.11215271	43.93391493	35.78216696	31.29027845	27.76854987	23.44498819	19.44312078	5.89239342	5.21691947	4.00258318	2.47763312	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Inactive			0					0	0	4		115.39941592	126.07389138	121.12508889	124.50445658	126.19784294	136.71165674	119.16075208	139.65618042	116.62234199	116.08914997	115.385127	115.39941592	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	16.626107	139.8896516382	42	Partial curve; high efficacy	-4.7792094394	1.2221	0.9127942118	-15.4770159039	124.4126357343	-2.1	0 0 0 0 0 0 0 0 0 0 0	5.71926492	111.70066904	118.48462029	130.7790893	118.7631013	129.19731042	139.52944065	135.34433616	96.46848388	95.21892189	68.31935481	5.71926492	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	37.221216	41.5090705741	20	Single point of activity	-4.4292094394	4.9549173134	0.6941475608	55.9561315159	97.46520209	-3	0 0 0 0 0 1 0 0 0 0 0	65.72038092	93.46520209	107.87323262	100.3200816	87.5908772	98.67787904	133.53060946	101.5710555	97.70474126	86.71399898	102.45535056	65.72038092	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	1.320659	88.1680718152	85	Complete curve; high efficacy	-5.8792094394	1.34431	0.9640008215	21.7178594475	109.8859312627	-1.1	0 0 0 0 0 0 0 0 0 0 0	25.73388482	102.82161403	122.69812714	107.55056252	98.12049011	118.06684027	106.07420647	82.12456201	61.63702459	33.13970912	21.77930953	25.73388482	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck
Cytotoxic	13.206586	137.1059088786	42	Partial curve; high efficacy	-4.8792094394	0.3	0.8057851825	-23.7470494396	113.358859439	-2.1	0 0 0 0 0 0 0 0 0 0 0	8.36087633	108.69814436	111.93232253	89.9557456	102.6480757	89.18351753	75.49933068	60.69736014	72.10700236	68.83206071	61.76143781	8.36087633	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Selleck

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：HEK-293T

External ID: CHEMBL4725212

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL3706568
ChEMBL Target Name: HEK-293T
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value
Growth Rate	=	0.66
Growth Rate	=	0.47
Growth Rate	=	0.81
Growth Rate	=	0.62
Growth Rate	=	0.92
Growth Rate	=	0.99
Growth Rate	=	-0.15
Growth Rate	=	-0.01
Growth Rate	=	0.69
Growth Rate	=	0.27
Growth Rate	=	0.71
Growth Rate	=	0.38
Growth Rate	=	0.78
Growth Rate	=	0.46
Growth Rate	=	0.9
Growth Rate	=	0.97
Growth Rate	=	0.97
Growth Rate	=	0.5
Growth Rate	=	0.33
Growth Rate	=	0.54

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：U2OS

External ID: CHEMBL4725214

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL615023
ChEMBL Target Name: U2OS
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value
Growth Rate	=	0.94
Growth Rate	=	0.96
Growth Rate	=	0.56
Growth Rate	=	0.78
Growth Rate	=	0.8
Growth Rate	=	0.92
Growth Rate	=	0.78
Growth Rate	=	-0.28
Growth Rate	=	-0.1
Growth Rate	=	0.54
Growth Rate	=	0.58
Growth Rate	=	0.72
Growth Rate	=	0.97
Growth Rate	=	0.76
Growth Rate	=	0.97
Growth Rate	=	0.82
Growth Rate	=	0.75
Growth Rate	=	0.87
Growth Rate	=	0.77
Growth Rate	=	0.78

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：15316 靶标：N/A

External ID: s-dipg-DIPG25-MIPE5.0-CTF48h-p1

Protocol: JHH-DIPG-1, SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV were seeded into 1536 well white polystyrene tissue culture treated Corning plates using a MultiDrop Combi dispenser (ThermoFisher Scientific) and small cassette in 5 microL their normal growth media. Growth media was composed of 50% Neurobasal A, 50% DMEM/F12, as well as HEPES, sodium pyruvate, non-essential amino acids, GlutaMAX-I and antibiotic-antimycotic, B27 supplement without Vitamin A, human EGF, human FGF basic, human PDGF-AA and PDGF-BB, and heparin. Each cell line was plated at varying cell densities to allow cells to be in log growth phase at the time of compound addition. 23nL of MIPE 4.0 or MIPE 5.0 compounds as well as controls were added using a pintool dispenser. Controls used were DMSO only (positive control), 9.2uM Bortezomib and empty wells (negative controls). Compound addition occurred 4 hours after cell plating for SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV and 24 hours after cell plating for JHH-DIPG-1. Plates were then incubated for 48 hours at 37 degrees C/95% relative humidity/5% CO2, covered by a stainless steel gasketed lid to prevent evaporation. 3 microL of Cell Titer Glo (Promega) or CellTiter-Fluor (Promega) was added to each well using a solenoid valve dispenser then plates were incubated at room temperature for 15 minutes with a stainless steel lid in place. Luminescence readings were taken using a Viewlux (PerkinElmer) with a 2 second exposure time per plate. Relative luminscense units were used to calculate compound dose response curves which were normalized to DMSO and empty well controls on each plate for 100% cell viability and 0% cell viability, respectively.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.

2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

3. Detailed PUBCHEM_ACTIVITY_SCORE calculation formula:
a. 80 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.1
b. 60 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.2 and abs(max response) < 40
c. 40 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -2.1 or [curve class = -2.2 and abs(max response)] < 40
d. 20 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = (-1.2 or -2.2) and abs(max response) >= 40
e. 20, if curve class = -1.3, -1.4, -2.3, -2.4, -3
f. 10, if curve class > 0 but not fit the above categories
g. 0, if curve class = 4

Phenotype	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at Concentration_0 %	Activity at Concentration_1 %	Activity at Concentration_2 %	Activity at Concentration_3 %	Activity at Concentration_4 %	Activity at Concentration_5 %	Activity at Concentration_6 %	Activity at Concentration_7 %	Activity at Concentration_8 %	Activity at Concentration_9 %	Activity at Concentration_10 %	Concentration_0 uM	Concentration_1 uM	Concentration_2 uM	Concentration_3 uM	Concentration_4 uM	Concentration_5 uM	Concentration_6 uM	Concentration_7 uM	Concentration_8 uM	Concentration_9 uM	Concentration_10 uM	Compound_QC
Cytotoxic	37.19748	91.1342258495	20	Single point of activity	-4.4294864767	4.9549173134	0.875481372	4.342393835	95.4766196845	-3	0 0 0 0 0 0 0 0 0 0 0	24.57883391	83.22279584	86.15690317	90.29154519	95.26274347	95.65159486	96.59093522	92.85441883	100.06083793	105.84713351	109.6553108	24.57883391	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		93.85099954	79.47769062	82.20956532	93.97758158	90.83062276	94.89075759	90.61244416	81.76876926	90.87727832	84.23366416	90.2317818	93.85099954	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Tocris
Inactive			0					0	0	4		86.1344433	73.98067854	67.23945321	82.5357128	82.37848669	92.21754618	92.86715162	83.87019067	85.26785026	74.65001565	88.90250275	86.1344433	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		89.23645972	83.0370568	79.61469844	87.5254377	64.61081799	69.99047086	101.20265416	68.83476347	63.62901993	53.98793061	90.75410464	89.23645972	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Glixx
Cytotoxic	0.029547	21.649337764	20	Complete curve; partial efficacy; poor fit	-7.5294864767	1.6604358099	0.9561446094	23.652041286	45.30137905	-1.4	0 0 0 0 0 0 0 0 0 0 0	23.41480807	46.80137905	41.80248582	46.94655808	34.97008078	30.11651125	23.51052303	23.7348496	25.94916909	23.04666884	22.09359758	23.41480807	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by DC Chemicals
Inactive			0					0	0	4		89.69858415	87.84336949	67.98533977	80.23988212	82.03837763	92.29191727	74.97990836	85.66983282	86.77136153	68.12569135	93.89564795	89.69858415	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Cytotoxic	0.148086	63.397375006	67	Complete curve; partial efficacy	-6.8294864767	3.9294729863	0.9050293228	36.915708489	100.313083495	-1.2	0 0 0 0 0 0 0 0 0 0 0	21.79048366	96.59879082	94.43025906	103.20673263	104.33173473	101.41829607	52.02437111	50.29840128	50.96295622	43.59671848	18.61758823	21.79048366	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Cayman
Inconclusive	20.91768	631.6850811818	10		-4.6794864767	2.7202212143	0.975632818	714.6895925159	83.0045113341	2.1	0 0 0 0 0 0 0 0 0 0 0	745.08217374	84.37388626	66.2622422	83.05211943	83.9284342	85.53305172	81.27260601	75.16641435	91.53685189	100.75315183	261.07217232	745.08217374	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Prestwick
Inactive			0					0	0	4		120.40429347	117.23356076	115.21849609	108.29317671	75.48048055	106.74453062	100.41237385	110.86019256	105.12953065	111.22572436	108.89664244	120.40429347	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		99.91771699	101.98033829	91.46550091	96.50193217	103.61878878	103.49397924	95.83462625	99.06318399	91.64823837	100.9118831	100.78474636	99.91771699	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Selleck
Inactive			0					0	0	4		99.65479254	107.41424051	104.19606178	97.0227829	97.64026763	101.74012424	103.39301871	112.88722995	111.7787508	113.20176801	101.15631119	99.65479254	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inconclusive	9.343585	50.7375730341	10	Single point of activity	-5.0294864767	4.0949729863	0.8148026191	141.338922044	90.6013490099	3	0 0 0 0 0 0 0 0 0 0 1	113.14744817	97.50265321	77.46662565	86.96133085	92.79304848	102.63091894	88.77452992	85.52355991	91.86463031	94.94244968	135.67627001	113.14744817	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Cytotoxic	20.91768	70.460002122	20	Partial curve; partial efficacy; poor fit	-4.6794864767	1.21	0.8219967057	22.732304318	93.19230644	-2.4	0 0 0 1 0 0 0 0 0 0 0	41.21361635	98.96771645	94.3474023	72.66103908	61.9134786	96.08606294	88.63250681	91.16896301	86.2686356	82.52694031	65.40999615	41.21361635	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by APExBIO
Inactive			0					0	0	4		98.37191731	101.0227377	85.5965364	91.76796683	101.84383168	97.81853288	100.2541168	103.91910324	99.51649589	104.2833848	95.01533917	98.37191731	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by SIGMA
Cytotoxic	14.808584	39.409514256	21	Partial curve; partial efficacy	-4.8294864767	1.8079476909	0.8861691488	60.393805782	99.803320038	-2.2	0 0 0 0 0 0 0 0 0 0 0	65.1610126	99.50750227	99.61224833	102.00943236	98.93012534	89.6273854	107.20283492	101.73821663	99.01890986	94.92302378	79.19302924	65.1610126	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		95.20220335	95.86509309	101.256044	100.79084239	105.65881833	102.36332534	93.0129541	107.79376442	109.54367405	104.25027189	96.91356101	95.20220335	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		116.11066365	109.55798176	104.64236051	113.96538634	120.25184545	112.02474568	85.5247867	93.94234109	92.51697186	121.10071117	115.38270483	116.11066365	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		83.37811478	82.90720958	68.55163275	82.00108591	87.26243762	89.40873549	86.44923201	91.62428911	85.16844732	72.50238696	79.54618215	83.37811478	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		99.79941552	93.61398668	86.36094517	91.83692551	96.62300461	108.81108568	100.63660756	95.55377397	107.99400802	89.90598463	93.86607704	99.79941552	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		86.95535696	92.83545394	98.68657693	104.24344275	105.4936814	97.01412895	99.93539265	101.27292951	96.95032567	90.95682675	91.61634128	86.95535696	0.00156	0.0046799999999	0.014	0.0421	0.126	0.379	1.1399999999	3.41	10.199999999	30.7	92.2	QC'd by Tocris

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：HEK-293T

External ID: CHEMBL4689846

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL3706568
ChEMBL Target Name: HEK-293T
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Total Cell Count	=	412		Multiplex
Control DMSO Fragmented Nuclei %	=	15	%	Multiplex
Control DMSO Pyknosed Nuclei (%)	=	5	%	Multiplex
Control DMSO Mitotic Cells (%)	=	77	%	Multiplex
Control DMSO Tubulin Phenotype Different Cells (%)	=	9	%	Multiplex
Control DMSO Mitochondria Different-Phenotype Cells (%)	=	13	%	Multiplex
Control DMSO Membrane Permeable-Phenotype Cells (%)	=	1	%	Multiplex
Population Hoechst High Intensity Objects (%)	=	7	%	Multiplex
Population Normal (%)	=	92	%	Multiplex
Population Apoptotic (%)	=	36	%	Multiplex
Population Healthy Nuclei (%)	=	73	%	Multiplex
Population Fragmented Nuclei (%)	=	16	%	Multiplex
Population Pyknosed Nuclei (%)	=	9	%	Multiplex
Population Mitotic Cells (%)	=	63	%	Multiplex
Population Tubulin-Different-Phenotype (%)	=	19	%	Multiplex
Population Mitochondria Different-Phenotype (%)	=	42	%	Multiplex
Population Membrane Permeable-Phenotype (%)	=	0	%	Multiplex
Control DMSO Total Cells	=	101135		Multiplex
Control DMSO Healthy Nuclei (%)	=	79	%	Multiplex
Total Cell Count	=	641		Multiplex

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Fibroblast

External ID: CHEMBL4689845

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL5314315
ChEMBL Target Name: Fibroblast
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Control DMSO Mitotic Cells (%)	=	60	%	Multiplex
Control DMSO Tubulin Phenotype Different Cells (%)	=	23	%	Multiplex
Control DMSO Mitochondria Different-Phenotype Cells (%)	=	9	%	Multiplex
Control DMSO Membrane Permeable-Phenotype Cells (%)	=	0	%	Multiplex
Population Hoechst High Intensity Objects (%)	=	5	%	Multiplex
Population Normal (%)	=	94	%	Multiplex
Population Apoptotic (%)	=	58	%	Multiplex
Population Healthy Nuclei (%)	=	70	%	Multiplex
Population Fragmented Nuclei (%)	=	16	%	Multiplex
Population Pyknosed Nuclei (%)	=	13	%	Multiplex
Population Mitotic Cells (%)	=	41	%	Multiplex
Population Tubulin-Different-Phenotype (%)	=	35	%	Multiplex
Population Mitochondria Different-Phenotype (%)	=	7	%	Multiplex
Population Membrane Permeable-Phenotype (%)	=	3	%	Multiplex
Control DMSO Total Cells	=	14985		Multiplex
Control DMSO Healthy Nuclei (%)	=	62	%	Multiplex
Total Cell Count	=	161		Multiplex
Control DMSO Fragmented Nuclei %	=	13	%	Multiplex
Control DMSO Pyknosed Nuclei (%)	=	18	%	Multiplex
Control DMSO Mitotic Cells (%)	=	51	%	Multiplex

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Fibroblasts

External ID: CHEMBL4689848

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL613838
ChEMBL Target Name: Fibroblasts
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Total Cell Count	=	239		Multiplex
Control DMSO Fragmented Nuclei %	=	21	%	Multiplex
Control DMSO Pyknosed Nuclei (%)	=	2	%	Multiplex
Control DMSO Mitotic Cells (%)	=	50	%	Multiplex
Control DMSO Tubulin Phenotype Different Cells (%)	=	30	%	Multiplex
Control DMSO Mitochondria Different-Phenotype Cells (%)	=	2	%	Multiplex
Control DMSO Membrane Permeable-Phenotype Cells (%)	=	15	%	Multiplex
Control DMSO Growth Rate	=	1	%	Multiplex
Population Hoechst High Intensity Objects (%)	=	17	%	Multiplex
Population Normal (%)	=	82	%	Multiplex
Population Apoptotic (%)	=	57	%	Multiplex
Population Healthy Nuclei (%)	=	45	%	Multiplex
Population Fragmented Nuclei (%)	=	50	%	Multiplex
Population Pyknosed Nuclei (%)	=	3	%	Multiplex
Population Mitotic Cells (%)	=	42	%	Multiplex
Population Tubulin-Different-Phenotype (%)	=	6	%	Multiplex
Population Mitochondria Different-Phenotype (%)	=	10	%	Multiplex
Population Membrane Permeable-Phenotype (%)	=	5	%	Multiplex
Control DMSO Total Cells	=	108	%	Multiplex
Control DMSO Apoptotic Cells (%)	=	49	%	Multiplex

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：U2OS

External ID: CHEMBL4689847

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL615023
ChEMBL Target Name: U2OS
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Total Cell Count	=	70		Multiplex
Control DMSO Fragmented Nuclei %	=	9	%	Multiplex
Control DMSO Pyknosed Nuclei (%)	=	7	%	Multiplex
Control DMSO Mitotic Cells (%)	=	49	%	Multiplex
Control DMSO Tubulin Phenotype Different Cells (%)	=	15	%	Multiplex
Control DMSO Mitochondria Different-Phenotype Cells (%)	=	8	%	Multiplex
Control DMSO Membrane Permeable-Phenotype Cells (%)	=	2	%	Multiplex
Control DMSO Growth Rate	=	1	%	Multiplex
Population Hoechst High Intensity Objects (%)	=	9	%	Multiplex
Population Normal (%)	=	90	%	Multiplex
Population Apoptotic (%)	=	33	%	Multiplex
Population Healthy Nuclei (%)	=	82	%	Multiplex
Population Fragmented Nuclei (%)	=	12	%	Multiplex
Population Pyknosed Nuclei (%)	=	5	%	Multiplex
Population Mitotic Cells (%)	=	66	%	Multiplex
Population Tubulin-Different-Phenotype (%)	=	34	%	Multiplex
Population Mitochondria Different-Phenotype (%)	=	19	%	Multiplex
Population Membrane Permeable-Phenotype (%)	=	4	%	Multiplex
Control DMSO Total Cells	=	78	%	Multiplex
Control DMSO Apoptotic Cells (%)	=	50	%	Multiplex

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：15316 靶标：N/A

External ID: s-dipg-DIPG13_CTG48h_mipe5_0-1

Protocol: JHH-DIPG-1, SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV were seeded into 1536 well white polystyrene tissue culture treated Corning plates using a MultiDrop Combi dispenser (ThermoFisher Scientific) and small cassette in 5 microL their normal growth media. Growth media was composed of 50% Neurobasal A, 50% DMEM/F12, as well as HEPES, sodium pyruvate, non-essential amino acids, GlutaMAX-I and antibiotic-antimycotic, B27 supplement without Vitamin A, human EGF, human FGF basic, human PDGF-AA and PDGF-BB, and heparin. Each cell line was plated at varying cell densities to allow cells to be in log growth phase at the time of compound addition. 23nL of MIPE 4.0 or MIPE 5.0 compounds as well as controls were added using a pintool dispenser. Controls used were DMSO only (positive control), 9.2uM Bortezomib and empty wells (negative controls). Compound addition occurred 4 hours after cell plating for SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV and 24 hours after cell plating for JHH-DIPG-1. Plates were then incubated for 48 hours at 37 degrees C/95% relative humidity/5% CO2, covered by a stainless steel gasketed lid to prevent evaporation. 3 microL of Cell Titer Glo (Promega) or CellTiter-Fluor (Promega) was added to each well using a solenoid valve dispenser then plates were incubated at room temperature for 15 minutes with a stainless steel lid in place. Luminescence readings were taken using a Viewlux (PerkinElmer) with a 2 second exposure time per plate. Relative luminscense units were used to calculate compound dose response curves which were normalized to DMSO and empty well controls on each plate for 100% cell viability and 0% cell viability, respectively.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.

2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

3. Detailed PUBCHEM_ACTIVITY_SCORE calculation formula:
a. 80 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.1
b. 60 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.2 and abs(max response) < 40
c. 40 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -2.1 or [curve class = -2.2 and abs(max response)] < 40
d. 20 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = (-1.2 or -2.2) and abs(max response) >= 40
e. 20, if curve class = -1.3, -1.4, -2.3, -2.4, -3
f. 10, if curve class > 0 but not fit the above categories
g. 0, if curve class = 4

Phenotype	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at Concentration_0 %	Activity at Concentration_1 %	Activity at Concentration_2 %	Activity at Concentration_3 %	Activity at Concentration_4 %	Activity at Concentration_5 %	Activity at Concentration_6 %	Activity at Concentration_7 %	Activity at Concentration_8 %	Activity at Concentration_9 %	Activity at Concentration_10 %	Concentration_0 uM	Concentration_1 uM	Concentration_2 uM	Concentration_3 uM	Concentration_4 uM	Concentration_5 uM	Concentration_6 uM	Concentration_7 uM	Concentration_8 uM	Concentration_9 uM	Concentration_10 uM	Compound_QC
Cytotoxic	33.152289	123.4768077299	20	Single point of activity	-4.4794864767	4.9549173134	0.8843306536	-11.4750609999	112.00174673	-3	0 0 0 0 0 0 0 0 0 0 0	8.459464	108.132089	108.598322	93.049264	117.935057	107.628887	137.448055	122.654751	105.203701	107.33169	109.282221	8.459464	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inconclusive	2.63338	30.729437	10	Complete curve; partial efficacy; poor fit	-5.5794864767	4.9549173134	0.7048457687	138.8756955	108.1462585	1.4	0 0 0 0 0 0 0 0 0 0 1	78.880916	108.117553	115.28756	114.0642	114.663595	102.49763	89.762403	114.749372	108.291252	143.278688	134.072721	78.880916	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Tocris
Inconclusive	0.001048	32.10881536	10	Complete curve; partial efficacy; poor fit	-8.9794864767	4.9549173134	0.601529813	105.30076896	73.1919536	1.4	0 0 0 0 0 1 0 0 0 0 1	87.825068	77.349581	114.342382	108.185159	99.126883	99.25727	142.872301	97.40628	103.633138	118.925855	100.968915	87.825068	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		75.101541	85.782548	100.283437	88.738914	91.302639	80.45031	83.509673	99.184414	54.590015	80.223362	78.726706	75.101541	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Glixx
Cytotoxic	0.033152	73.08463505	74	Complete curve; partial efficacy	-7.4794864767	0.3	0.7857230189	6.5481302	79.63276525	-1.2	0 0 0 0 0 0 0 0 0 0 0	7.009231	56.814735	72.462766	52.824062	30.769737	34.554888	32.359335	30.8747	36.278492	25.405465	11.973765	7.009231	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by DC Chemicals
Inactive			0					0	0	4		92.91365	106.032751	114.319381	119.332882	105.287718	104.568624	112.009963	124.910228	111.272175	133.216738	95.713766	92.91365	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Cytotoxic	0.052543	116.532771265	91	Complete curve; high efficacy	-7.2794864767	4.9549173134	0.967089477	17.92036948	134.453140745	-1.1	0 0 0 0 0 0 0 0 0 0 0	5.730128	121.906597	125.013539	137.710462	153.336525	46.196634	23.305067	23.894049	20.279072	28.180477	7.792604	5.730128	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Cayman
Cytotoxic	10.483674	35.8502646	20	Complete curve; partial efficacy	-4.9794864767	4.9549173134	0.8014048658	43.6737268	79.5239914	-1.2	0 0 0 0 0 0 0 0 0 0 0	44.25479	82.160106	76.012658	81.543817	75.224388	90.615936	67.54192	85.89188	70.838023	83.066325	47.834815	44.25479	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Prestwick
Inactive			0					0	0	4		79.845333	93.445863	107.785258	98.437738	99.945198	98.194294	82.640002	134.755302	98.114799	93.577217	76.930847	79.845333	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		86.173009	114.561497	121.545109	107.404273	129.191194	138.742311	105.312996	96.544704	89.081354	116.112186	114.668583	86.173009	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Selleck
Inactive			0					0	0	4		95.626043	93.941926	92.973952	118.147532	97.589991	114.197372	93.159681	126.628318	88.810879	75.899274	116.938256	95.626043	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Cytotoxic	0.002347	66.9666587	20	Complete curve; partial efficacy	-8.6294864767	1.331	0.8038170866	62.7159468	129.6826055	-1.2	0 0 0 0 0 0 0 0 0 0 0	61.849141	122.50431	93.479011	67.936385	86.403875	64.147961	49.287265	64.655775	51.821168	64.97006	69.943032	61.849141	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Cytotoxic	16.615504	93.5187708	41	Partial curve; partial efficacy	-4.7794864767	1.0999999999	0.8458125268	6.28768235	99.80645315	-2.2	0 0 0 0 0 0 0 0 0 0 0	25.112804	96.795113	98.366063	88.566966	114.886001	101.482756	86.909341	112.440189	96.774389	66.248071	64.183604	25.112804	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by APExBIO
Inactive			0					0	0	4		91.473679	90.621579	109.921672	105.565332	130.742561	115.841089	102.213097	125.1864	116.907867	94.492528	112.575039	91.473679	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by SIGMA
Cytotoxic	9.343585	107.48774	20	Partial curve; high efficacy; poor fit	-5.0294864767	0.3	0.7125591242	22.4197114	129.9074514	-2.3	0 0 0 0 0 0 0 0 0 0 0	48.304721	129.195376	124.692009	134.063213	93.483614	104.238402	93.76418	94.98283	108.718485	78.539239	88.137797	48.304721	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Cytotoxic	4.682885	31.4746017001	20	Complete curve; partial efficacy; poor fit	-5.3294864767	3.5117481694	0.6558226513	86.6034791999	118.0780809	-1.4	0 0 0 1 0 0 0 0 0 0 0	84.357972	122.082612	129.403283	120.596943	-0.398636	96.965696	107.059014	127.21666	122.214687	99.138241	89.849426	84.357972	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inconclusive	0.001176	37.744698	10	Complete curve; partial efficacy; poor fit	-8.9294864767	4.9549173134	0.6382635662	108.381368	70.63667	1.4	0 0 0 0 0 0 0 0 0 0 0	102.870375	74.814484	107.025103	103.350416	120.434181	111.743559	108.603873	95.881107	106.168475	121.592624	103.440686	102.870375	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		82.853446	86.53478	95.54842	97.905373	93.248976	91.887912	86.165292	101.237684	107.533068	91.564376	82.171826	82.853446	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inconclusive	0.001048	42.8706232	10	Complete curve; partial efficacy; poor fit	-8.9794864767	4.9549173134	0.4347488409	109.3360932	66.46547	1.4	0 0 0 1 0 0 0 0 0 0 0	104.063191	72.822474	136.392514	114.717194	146.146724	93.252574	116.095525	111.901871	93.237295	100.661581	115.428107	104.063191	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		95.154144	100.359863	119.042914	91.457487	101.841871	100.866546	99.107206	115.317614	107.964032	132.325945	102.727453	95.154144	0.00156	0.0046799999999	0.014	0.0421	0.126	0.379	1.1399999999	3.41	10.199999999	30.7	92.2	QC'd by Tocris

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：15316 靶标：N/A

External ID: s-dipg-DIPG25_CTG48h_mipe5_0-2

Protocol: JHH-DIPG-1, SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV were seeded into 1536 well white polystyrene tissue culture treated Corning plates using a MultiDrop Combi dispenser (ThermoFisher Scientific) and small cassette in 5 microL their normal growth media. Growth media was composed of 50% Neurobasal A, 50% DMEM/F12, as well as HEPES, sodium pyruvate, non-essential amino acids, GlutaMAX-I and antibiotic-antimycotic, B27 supplement without Vitamin A, human EGF, human FGF basic, human PDGF-AA and PDGF-BB, and heparin. Each cell line was plated at varying cell densities to allow cells to be in log growth phase at the time of compound addition. 23nL of MIPE 4.0 or MIPE 5.0 compounds as well as controls were added using a pintool dispenser. Controls used were DMSO only (positive control), 9.2uM Bortezomib and empty wells (negative controls). Compound addition occurred 4 hours after cell plating for SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV and 24 hours after cell plating for JHH-DIPG-1. Plates were then incubated for 48 hours at 37 degrees C/95% relative humidity/5% CO2, covered by a stainless steel gasketed lid to prevent evaporation. 3 microL of Cell Titer Glo (Promega) or CellTiter-Fluor (Promega) was added to each well using a solenoid valve dispenser then plates were incubated at room temperature for 15 minutes with a stainless steel lid in place. Luminescence readings were taken using a Viewlux (PerkinElmer) with a 2 second exposure time per plate. Relative luminscense units were used to calculate compound dose response curves which were normalized to DMSO and empty well controls on each plate for 100% cell viability and 0% cell viability, respectively.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.

2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

3. Detailed PUBCHEM_ACTIVITY_SCORE calculation formula:
a. 80 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.1
b. 60 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.2 and abs(max response) < 40
c. 40 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -2.1 or [curve class = -2.2 and abs(max response)] < 40
d. 20 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = (-1.2 or -2.2) and abs(max response) >= 40
e. 20, if curve class = -1.3, -1.4, -2.3, -2.4, -3
f. 10, if curve class > 0 but not fit the above categories
g. 0, if curve class = 4

Phenotype	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at Concentration_0 %	Activity at Concentration_1 %	Activity at Concentration_2 %	Activity at Concentration_3 %	Activity at Concentration_4 %	Activity at Concentration_5 %	Activity at Concentration_6 %	Activity at Concentration_7 %	Activity at Concentration_8 %	Activity at Concentration_9 %	Activity at Concentration_10 %	Concentration_0 uM	Concentration_1 uM	Concentration_2 uM	Concentration_3 uM	Concentration_4 uM	Concentration_5 uM	Concentration_6 uM	Concentration_7 uM	Concentration_8 uM	Concentration_9 uM	Concentration_10 uM	Compound_QC
Cytotoxic	18.642902	126.15485868	41	Partial curve; high efficacy	-4.7294864767	2.3331733767	0.8957088719	-3.21467216	122.94018652	-2.1	0 0 0 0 0 0 0 0 0 0 0	7.036886	135.181363	130.1405	104.362997	119.774039	111.275951	122.925455	143.049958	104.930586	124.48153	77.3734	7.036886	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		103.545737	123.621755	100.682459	123.474568	103.869227	113.528395	105.680422	111.096214	117.297596	118.942261	119.467475	103.545737	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Tocris
Cytotoxic	16.615504	44.3540282	21	Partial curve; partial efficacy	-4.7794864767	4.4494702849	0.782865159	63.3892022	107.7432304	-2.2	0 0 0 0 0 0 0 0 0 0 0	60.487552	107.383667	104.781148	117.214482	98.930031	100.42572	97.352274	106.273793	114.136965	121.891918	88.784558	60.487552	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		80.328991	83.541127	117.899597	87.599574	100.967246	92.678985	88.219992	99.605631	108.527593	72.992134	90.842262	80.328991	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Glixx
Cytotoxic	0.006615	36.85612904	77	Complete curve; partial efficacy	-8.1794864767	0.8999999999	0.9521063813	8.50187096	45.358	-1.2	0 0 0 0 0 0 0 0 0 0 0	4.244148	41.358	34.145846	29.074887	14.258801	14.557676	11.190844	13.399812	9.415033	9.050603	5.660838	4.244148	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by DC Chemicals
Cytotoxic	0.001176	31.29591164	20	Complete curve; partial efficacy; poor fit	-8.9294864767	4.9549173134	0.4564493562	96.15583006	127.4517417	-1.4	0 0 0 0 0 0 0 0 0 0 0	80.677741	123.759964	94.851007	101.736722	101.077861	92.567357	111.282872	104.71354	91.134913	99.402696	82.790421	80.677741	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Cytotoxic	0.029547	108.166176992	93	Complete curve; high efficacy	-7.5294864767	1.8851180601	0.9697902545	16.354511228	124.52068822	-1.1	0 0 0 0 0 0 0 0 0 0 0	5.895046	133.4495	113.437443	113.105037	96.938274	27.745985	20.817125	19.298723	25.423048	25.152487	8.551472	5.895046	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Cayman
Cytotoxic	16.615504	48.9041264	20	Partial curve; partial efficacy; poor fit	-4.7794864767	0.6	0.6935076093	45.1871345	94.0912609	-2.4	0 0 0 0 0 0 0 0 0 0 0	57.669268	94.25604	92.771981	109.317059	93.527978	78.884319	85.689906	89.343997	82.019559	86.209669	71.201219	57.669268	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Prestwick
Inactive			0					0	0	4		128.815446	99.545739	114.716369	103.287918	98.838545	97.453949	100.234231	91.379116	113.399625	125.175692	79.031756	128.815446	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		89.193791	122.605607	106.43189	111.068548	105.130989	121.762734	93.238715	112.033644	122.43667	102.501996	105.786003	89.193791	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Selleck
Inconclusive	8.327479	40.02062363	10	Partial curve; partial efficacy; poor fit	-5.0794864767	0.4	0.3959180781	139.43954268	99.41891905	2.4	0 0 0 0 0 0 0 0 0 0 0	130.742167	95.873383	105.321664	90.483902	125.703545	95.047279	101.583048	121.782718	112.263002	101.33735	127.403662	130.742167	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Cytotoxic	0.011763	95.423259088	20	Complete curve; high efficacy; poor fit	-7.9294864767	0.5999999999	0.9400776468	49.171944812	144.5952039	-1.3	0 0 0 0 0 0 0 0 1 0 0	44.332311	137.402192	104.536339	103.477508	99.696556	71.493658	62.506017	54.180794	53.63088	103.504729	58.000938	44.332311	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Cytotoxic	33.152289	127.74620988	20	Partial curve; high efficacy; poor fit	-4.4794864767	0.3	0.5331979063	-20.28688418	107.4593257	-2.3	0 0 0 0 0 0 0 0 0 0 0	8.345887	118.47193	74.072233	87.768892	94.528963	72.734865	81.819706	77.547837	88.541717	79.57216	66.383412	8.345887	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by APExBIO
Inactive			0					0	0	4		133.178033	137.067799	133.443737	114.171856	99.584738	123.606191	130.745107	104.902403	121.538454	105.00966	109.594919	133.178033	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by SIGMA
Cytotoxic	6.614751	118.84331188	43	Partial curve; high efficacy	-5.1794864767	0.3	0.8702797686	9.02331972	127.8666316	-2.1	0 0 0 0 0 0 0 0 0 0 0	38.752713	131.657067	112.576146	119.032119	90.392279	100.246645	104.884163	94.881145	80.536658	80.191118	61.157951	38.752713	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		121.571519	113.578656	119.299731	106.740835	107.123683	106.258077	100.355347	128.225974	92.829566	113.02715	119.615628	121.571519	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		114.10255	106.795649	104.918473	117.387121	100.578191	93.660496	104.716086	97.616338	111.949898	147.441027	98.022102	114.10255	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		87.018235	102.763697	93.662067	88.65826	82.92366	96.236805	115.491274	104.944571	99.004199	94.994656	89.542123	87.018235	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		113.561231	126.425316	107.279423	94.516518	113.95201	87.102689	104.49478	104.282344	83.261185	125.027621	89.903851	113.561231	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		101.413011	106.644436	110.826043	110.981093	87.714302	97.431694	95.978601	102.836951	116.292188	96.225349	110.394607	101.413011	0.00156	0.0046799999999	0.014	0.0421	0.126	0.379	1.1399999999	3.41	10.199999999	30.7	92.2	QC'd by Tocris

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：15316 靶标：N/A

External ID: s-dipg-dipg6-1

Protocol: JHH-DIPG-1, SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV were seeded into 1536 well white polystyrene tissue culture treated Corning plates using a MultiDrop Combi dispenser (ThermoFisher Scientific) and small cassette in 5 microL their normal growth media. Growth media was composed of 50% Neurobasal A, 50% DMEM/F12, as well as HEPES, sodium pyruvate, non-essential amino acids, GlutaMAX-I and antibiotic-antimycotic, B27 supplement without Vitamin A, human EGF, human FGF basic, human PDGF-AA and PDGF-BB, and heparin. Each cell line was plated at varying cell densities to allow cells to be in log growth phase at the time of compound addition. 23nL of MIPE 4.0 or MIPE 5.0 compounds as well as controls were added using a pintool dispenser. Controls used were DMSO only (positive control), 9.2uM Bortezomib and empty wells (negative controls). Compound addition occurred 4 hours after cell plating for SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV and 24 hours after cell plating for JHH-DIPG-1. Plates were then incubated for 48 hours at 37 degrees C/95% relative humidity/5% CO2, covered by a stainless steel gasketed lid to prevent evaporation. 3 microL of Cell Titer Glo (Promega) or CellTiter-Fluor (Promega) was added to each well using a solenoid valve dispenser then plates were incubated at room temperature for 15 minutes with a stainless steel lid in place. Luminescence readings were taken using a Viewlux (PerkinElmer) with a 2 second exposure time per plate. Relative luminscense units were used to calculate compound dose response curves which were normalized to DMSO and empty well controls on each plate for 100% cell viability and 0% cell viability, respectively.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.

2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

3. Detailed PUBCHEM_ACTIVITY_SCORE calculation formula:
a. 80 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.1
b. 60 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.2 and abs(max response) < 40
c. 40 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -2.1 or [curve class = -2.2 and abs(max response)] < 40
d. 20 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = (-1.2 or -2.2) and abs(max response) >= 40
e. 20, if curve class = -1.3, -1.4, -2.3, -2.4, -3
f. 10, if curve class > 0 but not fit the above categories
g. 0, if curve class = 4

Phenotype	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at Concentration_0 %	Activity at Concentration_1 %	Activity at Concentration_2 %	Activity at Concentration_3 %	Activity at Concentration_4 %	Activity at Concentration_5 %	Activity at Concentration_6 %	Activity at Concentration_7 %	Activity at Concentration_8 %	Activity at Concentration_9 %	Activity at Concentration_10 %	Concentration_0 uM	Concentration_1 uM	Concentration_2 uM	Concentration_3 uM	Concentration_4 uM	Concentration_5 uM	Concentration_6 uM	Concentration_7 uM	Concentration_8 uM	Concentration_9 uM	Concentration_10 uM	Compound_QC
Cytotoxic	23.485	111.9820539518	41	Partial curve; high efficacy	-4.6292094394	4.0949729863	0.9566294574	-5.2633537748	106.718700177	-2.1	0 0 0 0 0 0 0 0 0 0 0	3.78570109	116.8988869	100.40826266	110.26756218	101.57725034	116.55162001	108.64837931	107.45027328	97.43709825	98.98696865	89.35900261	3.78570109	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by KUCMLD
Cytotoxic	5.899165	73.483522056	42	Partial curve; partial efficacy	-5.2292094394	1.01	0.8978847106	32.309467442	105.792989498	-2.2	0 0 0 0 0 0 0 0 0 0 0	35.22140545	88.95767383	102.15291386	105.82692877	113.57456213	110.63406351	111.75228176	105.81861206	77.95364533	74.85719038	55.69587645	35.22140545	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by KUCMLD
Cytotoxic	1.481803	108.7676639692	47	Partial curve; high efficacy	-5.8292094394	0.5	0.9750763995	1.2834012158	110.051065185	-2.1	0 0 0 0 0 0 0 0 0 0 0	13.27601573	102.77313897	107.71749143	99.73303693	101.90534273	100.96717645	73.98786625	65.87464234	56.98068369	36.38189251	33.20958904	13.27601573	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Vanderbilt
Cytotoxic	14.818033	135.4552774113	42	Partial curve; high efficacy	-4.8292094394	0.8999999999	0.9363368538	-27.2433267793	108.211950632	-2.1	0 0 0 0 0 0 0 0 0 0 0	5.3361872	111.11382999	106.1486738	93.63258637	113.97183963	121.41136152	100.48717221	98.84052448	96.86374043	58.82331994	49.52196822	5.3361872	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Adooq
Cytotoxic	20.931028	109.773729375	41	Partial curve; high efficacy	-4.6792094394	4.0949729863	0.9392860503	-5.505855052	104.267874323	-2.1	0 0 0 0 0 0 0 0 0 0 0	2.84208166	107.19129056	105.68382868	114.9759044	119.77873114	94.97563012	101.48139219	95.5470176	104.90160021	96.21095805	79.25583079	2.84208166	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Axon Medchem
Cytotoxic	20.931028	63.1206514614	21	Partial curve; partial efficacy	-4.6792094394	4.0949729863	0.8325998868	40.126115865	103.2467673264	-2.2	0 0 0 0 0 0 0 0 0 0 0	44.29616302	99.78309746	112.19884602	96.8942452	101.17900333	113.3709612	103.54789871	101.88158741	115.02276569	86.91848569	89.97745002	44.29616302	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Vanderbilt
Cytotoxic	37.221216	115.8304909791	20	Single point of activity	-4.4292094394	4.9549173134	0.9081264141	-27.1103571011	88.720133878	-3	0 0 0 0 0 0 0 0 0 0 0	2.58111274	97.13993389	88.20993152	89.29225528	85.24961705	83.50956039	101.77911286	94.15859415	69.69527265	86.82575199	88.5261484	2.58111274	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by SantaCruz Bio
Inactive			0					0	0	4		76.62682766	96.3774156	99.18721363	85.71842991	93.21657245	92.00195985	94.00069725	89.93709351	103.81374024	88.88480459	89.99666731	76.62682766	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by XcessBio
Cytotoxic	23.485	84.604687842	40	Partial curve; partial efficacy	-4.6292094394	4.0949729863	0.8623569179	27.861631578	112.46631942	-2.2	0 0 0 0 0 0 0 0 0 0 0	33.45804928	103.46631942	114.56532672	114.26744187	106.30910569	129.40568602	126.27534301	99.80202233	116.8974504	101.54292813	97.82154692	33.45804928	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by XcessBio
Cytotoxic	20.931028	81.9939827075	41	Partial curve; partial efficacy	-4.6792094394	4.0949729863	0.9486894814	6.140686041	88.1346687485	-2.2	0 0 0 0 0 0 0 0 0 0 0	12.15718556	82.37148824	96.89357539	92.2045433	90.71790573	93.94912981	82.18672499	90.08735736	87.35566181	79.47959322	67.99714687	12.15718556	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by NCI
Inactive			0					0	0	4		104.55536399	104.07238635	109.06730212	128.95741661	117.29583417	118.02584352	117.02867299	121.74090098	111.86229692	98.41825474	116.18521252	104.55536399	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Tocris
Cytotoxic	26.350603	85.2696721395	20	Single point of activity	-4.5792094394	4.5044702849	0.9638601697	-1.9000235935	83.369648546	-3	0 0 0 0 0 0 0 0 0 0 0	4.56995056	82.60111979	91.884663	83.44014594	80.33772454	89.49502582	82.20514945	84.29794015	81.75544217	74.11992237	75.95288407	4.56995056	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Tocris
Inactive			0					0	0	4		84.04578693	107.16558904	100.01611978	107.19697935	97.42892206	100.56170947	100.65519968	102.98052628	109.55062335	143.99403377	105.62555814	84.04578693	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Tocris
Inactive			0					0	0	4		84.55640125	81.20780388	80.91948244	87.87087901	88.65155887	98.92886906	83.04110269	93.13808395	91.46241737	84.81333239	85.04057174	84.55640125	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by Tocris
Cytotoxic	46.858735	46.0930883948	20	Partial curve; partial efficacy; poor fit	-4.3292094394	0.4	0.4791135303	70.4810553152	116.57414371	-2.4	0 0 0 0 0 0 0 0 0 0 0	82.62483432	120.57414371	108.38079966	106.45332345	110.40039818	112.13798963	112.23063057	106.90251858	106.57734822	113.67802701	105.64944122	82.62483432	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by EMD Chemicals
Inactive			0					0	0	4		85.04410207	88.90005115	114.42268522	105.06161403	93.57891984	92.09732943	98.2406704	106.72851553	91.92096031	95.17930649	99.75604796	85.04410207	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by XcessBio
Cytotoxic	20.931028	47.9403504661	20	Single point of activity	-4.6792094394	2.2526478767	0.7063229638	57.2576461979	105.197996664	-3	0 0 0 0 0 0 0 0 0 0 0	57.33332439	109.61896302	101.96600811	98.06445099	109.69972281	104.08065834	98.4340137	99.73135248	126.54298795	93.80378168	95.81555041	57.33332439	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by XcessBio
Inactive			0					0	0	4		82.71097307	83.89971749	75.8508373	89.86601238	92.94802221	90.61589188	80.14015155	84.36747051	95.38907686	85.18197392	90.73708083	82.71097307	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by XcessBio
Cytotoxic	20.931028	42.272992321	20	Single point of activity	-4.6792094394	4.9549173134	0.6135257994	76.387398039	118.66039036	-3	0 0 0 0 0 0 0 0 0 0 0	77.35130172	111.16039036	120.10642547	123.03642174	139.37216125	103.06283096	119.25619957	106.10858593	127.20682294	119.90625841	110.93307872	77.35130172	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by XcessBio
Inactive			0					0	0	4		130.02811042	114.04469727	109.99352542	93.9836135	117.59465201	119.41170012	91.76720807	89.00370048	113.08996086	74.68213822	108.38650371	130.02811042	0.00078041474654	0.0023412442396	0.0070237788018	0.021071290322	0.06321391705	0.18964175115	0.56892529953	1.7067758986	5.1203276958	15.360983087	46.082949308	QC'd by XcessBio

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：15316 靶标：N/A

External ID: s-dipg-JHHDIPG1_CTG48h_mipe5_0-1

Protocol: JHH-DIPG-1, SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV were seeded into 1536 well white polystyrene tissue culture treated Corning plates using a MultiDrop Combi dispenser (ThermoFisher Scientific) and small cassette in 5 microL their normal growth media. Growth media was composed of 50% Neurobasal A, 50% DMEM/F12, as well as HEPES, sodium pyruvate, non-essential amino acids, GlutaMAX-I and antibiotic-antimycotic, B27 supplement without Vitamin A, human EGF, human FGF basic, human PDGF-AA and PDGF-BB, and heparin. Each cell line was plated at varying cell densities to allow cells to be in log growth phase at the time of compound addition. 23nL of MIPE 4.0 or MIPE 5.0 compounds as well as controls were added using a pintool dispenser. Controls used were DMSO only (positive control), 9.2uM Bortezomib and empty wells (negative controls). Compound addition occurred 4 hours after cell plating for SU-DIPG-IV, SU-DIPG-VI, SU-DIPG-XIII, SU-DIPG-XIII, SU-DIPG-XVII and SU-DIPG-XXV and 24 hours after cell plating for JHH-DIPG-1. Plates were then incubated for 48 hours at 37 degrees C/95% relative humidity/5% CO2, covered by a stainless steel gasketed lid to prevent evaporation. 3 microL of Cell Titer Glo (Promega) or CellTiter-Fluor (Promega) was added to each well using a solenoid valve dispenser then plates were incubated at room temperature for 15 minutes with a stainless steel lid in place. Luminescence readings were taken using a Viewlux (PerkinElmer) with a 2 second exposure time per plate. Relative luminscense units were used to calculate compound dose response curves which were normalized to DMSO and empty well controls on each plate for 100% cell viability and 0% cell viability, respectively.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.

2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

3. Detailed PUBCHEM_ACTIVITY_SCORE calculation formula:
a. 80 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.1
b. 60 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -1.2 and abs(max response) < 40
c. 40 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = -2.1 or [curve class = -2.2 and abs(max response)] < 40
d. 20 + abs((LogAC50 + 4.5)*(100-Inf_activity) / 20), if curve class = (-1.2 or -2.2) and abs(max response) >= 40
e. 20, if curve class = -1.3, -1.4, -2.3, -2.4, -3
f. 10, if curve class > 0 but not fit the above categories
g. 0, if curve class = 4

Phenotype	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at Concentration_0 %	Activity at Concentration_1 %	Activity at Concentration_2 %	Activity at Concentration_3 %	Activity at Concentration_4 %	Activity at Concentration_5 %	Activity at Concentration_6 %	Activity at Concentration_7 %	Activity at Concentration_8 %	Activity at Concentration_9 %	Activity at Concentration_10 %	Concentration_0 uM	Concentration_1 uM	Concentration_2 uM	Concentration_3 uM	Concentration_4 uM	Concentration_5 uM	Concentration_6 uM	Concentration_7 uM	Concentration_8 uM	Concentration_9 uM	Concentration_10 uM	Compound_QC
Cytotoxic	23.470023	101.9274350579	41	Partial curve; high efficacy	-4.6294864767	4.0949729863	0.969961685	-1.7053407579	100.2220943	-2.1	0 0 0 0 0 0 0 0 0 0 0	6.244822	98.688575	108.479442	99.963753	89.127899	105.638255	98.74874	101.186836	101.541698	96.660486	86.415942	6.244822	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		92.293192	99.426598	115.870162	118.108351	95.421059	110.290178	98.095024	114.457288	94.529502	114.453938	106.661573	92.293192	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Tocris
Cytotoxic	26.333799	43.1849898799	20	Single point of activity	-4.5794864767	4.0949729863	0.7295797332	53.76829472	96.9532845999	-3	0 0 0 0 0 0 0 0 0 0 0	57.718456	101.31271	89.568442	88.593017	100.573484	92.932285	83.725742	91.541198	99.70897	94.096686	92.338807	57.718456	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		84.825137	102.753632	88.072831	95.444103	101.669453	98.386259	94.739716	96.112498	89.729642	97.163419	88.737708	84.825137	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Glixx
Cytotoxic	0.007422	32.4688315601	74	Complete curve; partial efficacy	-8.1294864767	0.8999999999	0.8123273513	20.5048417399	52.9736733	-1.2	0 0 0 0 0 0 0 0 0 0 0	22.754364	49.807325	43.796303	38.081215	28.607181	25.242374	24.251972	24.136395	6.470808	24.825601	24.444737	22.754364	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by DC Chemicals
Cytotoxic	37.19748	40.2203496999	20	Single point of activity	-4.4294864767	4.9549173134	0.6995976119	52.0355466	92.2558962999	-3	0 0 0 0 0 0 0 0 0 0 0	61.142712	86.208936	88.147625	90.898023	84.332843	102.081918	94.358663	83.797831	95.700599	99.711228	95.098965	61.142712	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Cytotoxic	0.052543	79.56402277	70	Complete curve; partial efficacy	-7.2794864767	3.9294729863	0.926944804	25.86514974	105.42917251	-1.2	0 0 0 0 0 0 0 0 0 0 0	5.573654	112.371	94.842613	102.158108	111.577825	48.208059	35.498411	30.642614	34.765068	38.610966	12.828797	5.573654	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Cayman
Cytotoxic	4.173626	72.32162204	63	Complete curve; partial efficacy	-5.3794864767	0.6	0.96148683	21.16636276	93.4879848	-1.2	0 0 0 0 0 0 0 0 0 0 0	37.504821	96.375003	90.197492	94.181533	86.400013	89.167143	82.651524	81.29164	61.457691	61.74078	37.769251	37.504821	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Prestwick
Cytotoxic	0.02347	35.3293072401	20	Complete curve; partial efficacy; poor fit	-7.6294864767	0.4	0.707360369	76.2986221599	111.6279294	-1.4	0 0 0 0 0 0 0 0 1 0 0	87.944813	107.794052	96.764414	101.458296	89.899567	94.861533	87.505859	83.56872	83.254819	39.396426	66.132826	87.944813	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		103.031807	110.057696	134.713497	113.113215	114.985563	121.143028	121.499758	115.019309	109.702305	109.606768	98.516749	103.031807	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Selleck
Inactive			0					0	0	4		100.316789	94.438418	102.051197	107.727938	93.571047	103.819834	101.467567	90.661748	93.971124	61.657811	95.315529	100.316789	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		93.259199	93.839118	89.716423	81.17662	98.717207	96.321786	95.159548	91.984438	95.394354	78.451997	93.241241	93.259199	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Cytotoxic	23.470023	61.7050348	20	Partial curve; partial efficacy; poor fit	-4.6294864767	4.0949729863	0.8162726046	22.0157434	83.7207782	-2.4	0 0 0 0 0 0 0 1 0 0 0	27.015742	87.603271	85.243306	85.698823	82.133061	66.296775	85.167329	79.044029	1.630052	100.84067	72.928905	27.015742	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by APExBIO
Inactive			0					0	0	4		105.10516	104.907652	129.28363	118.685869	95.326261	116.883	115.30465	111.108438	100.00014	68.933542	123.732485	105.10516	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by SIGMA
Cytotoxic	2.63338	65.02409354	20	Partial curve; partial efficacy; poor fit	-5.5794864767	0.3	0.8201003825	50.9357387599	115.9598322999	-2.4	0 0 1 0 0 0 0 0 0 0 0	67.369363	118.584758	101.594809	33.144001	102.458798	89.373836	97.981686	99.906038	89.226724	84.135167	67.335501	67.369363	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		96.829284	104.718454	116.958053	109.448475	101.536594	124.332114	110.040354	108.808863	104.915619	118.044153	98.047527	96.829284	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		87.502444	81.777837	94.099637	90.560282	99.25773	92.246537	95.815138	78.102868	89.5792	85.344095	85.922363	87.502444	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by MedChem Express
Inactive			0					0	0	4		94.624574	78.788889	87.880278	84.168864	100.013179	97.187524	97.50528	87.317762	93.103007	97.770125	106.570033	94.624574	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		92.67259	111.784418	106.257482	84.691071	89.628111	82.459249	92.191139	98.439819	76.861749	77.275787	92.319308	92.67259	0.00078	0.0023399999999	0.00702	0.0211	0.0632	0.18999999999	0.569	1.71	5.12	15.399999999	46.1	QC'd by Microsource
Inactive			0					0	0	4		92.094371	96.65557	98.621866	109.289861	112.149351	96.426999	103.572903	111.583411	90.413272	105.964669	108.848997	92.094371	0.00156	0.0046799999999	0.014	0.0421	0.126	0.379	1.1399999999	3.41	10.199999999	30.7	92.2	QC'd by Tocris

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Methyl-CpG-binding domain protein 4

External ID: CHEMBL5665444

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL5723573
ChEMBL Target Name: Methyl-CpG-binding domain protein 4
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
Inhibition	=	-6.381	%
Inhibition	=	16.47	%
Inhibition	=	-4.206	%
Inhibition	=	22.74	%
Inhibition	=	-1.65	%
Inhibition	=	-4.081	%
Inhibition	=	58.46	%
Inhibition	=	10.33	%
Inhibition	=	2.618	%
Inhibition	=	29.13	%
Inhibition	=	-16.29	%	Outside typical range
Inhibition	=	-32.84	%	Outside typical range
Inhibition	=	-68.9	%	Outside typical range
Inhibition	=	-3.218	%
Inhibition	=	-11.14	%	Outside typical range
Inhibition	=	-12.98	%	Outside typical range
Inhibition	=	3.223	%
Inhibition	=	2.067	%
Inhibition	=	-34.52	%	Outside typical range
Inhibition	=	4.692	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：U2OS

External ID: CHEMBL4689844

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL615023
ChEMBL Target Name: U2OS
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Control DMSO Fragmented Nuclei %	=	5	%	Multiplex
Control DMSO Pyknosed Nuclei (%)	=	6	%	Multiplex
Control DMSO Mitotic Cells (%)	=	64	%	Multiplex
Control DMSO Tubulin Phenotype Different Cells (%)	=	10	%	Multiplex
Control DMSO Mitochondria Different-Phenotype Cells (%)	=	9	%	Multiplex
Control DMSO Membrane Permeable-Phenotype Cells (%)	=	2	%	Multiplex
Control DMSO Growth Rate	=	1	%	Multiplex
Population Hoechst High Intensity Objects (%)	=	7	%	Multiplex
Population Normal (%)	=	92	%	Multiplex
Population Apoptotic (%)	=	41	%	Multiplex
Population Healthy Nuclei (%)	=	76	%	Multiplex
Population Fragmented Nuclei (%)	=	12	%	Multiplex
Population Pyknosed Nuclei (%)	=	11	%	Multiplex
Population Mitotic Cells (%)	=	58	%	Multiplex
Population Tubulin-Different-Phenotype (%)	=	21	%	Multiplex
Population Mitochondria Different-Phenotype (%)	=	21	%	Multiplex
Population Membrane Permeable-Phenotype (%)	=	0	%	Multiplex
Control DMSO Total Cells	=	330	%	Multiplex
Control DMSO Apoptotic Cells (%)	=	35	%	Multiplex
Control DMSO Healthy Nuclei (%)	=	88	%	Multiplex

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：DNA-3-methyladenine glycosylase

External ID: CHEMBL5665445

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL3396943
ChEMBL Target Name: DNA-3-methyladenine glycosylase
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
Inhibition	=	-14.26	%	Outside typical range
Inhibition	=	10.48	%
Inhibition	=	-3.908	%
Inhibition	=	19.08	%
Inhibition	=	-3.947	%
Inhibition	=	-5.04	%
Inhibition	=	19.43	%
Inhibition	=	-11.31	%	Outside typical range
Inhibition	=	-1.425	%
Inhibition	=	19.77	%
Inhibition	=	13.22	%
Inhibition	=	17	%
Inhibition	=	-16.4	%	Outside typical range
Inhibition	=	-10.08	%	Outside typical range
Inhibition	=	-3.293	%
Inhibition	=	4.037	%
Inhibition	=	6.526	%
Inhibition	=	-12.16	%	Outside typical range
Inhibition	=	6.081	%
Inhibition	=	6.031	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：HEK-293T

External ID: CHEMBL4689843

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL3706568
ChEMBL Target Name: HEK-293T
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Total Cell Count	=	196		Multiplex
Control DMSO Fragmented Nuclei %	=	14	%	Multiplex
Control DMSO Pyknosed Nuclei (%)	=	45	%	Multiplex
Control DMSO Mitotic Cells (%)	=	57	%	Multiplex
Control DMSO Tubulin Phenotype Different Cells (%)	=	31	%	Multiplex
Control DMSO Mitochondria Different-Phenotype Cells (%)	=	51	%	Multiplex
Control DMSO Membrane Permeable-Phenotype Cells (%)	=	4	%	Multiplex
Control DMSO Growth Rate	=	1	%	Multiplex
Population Hoechst High Intensity Objects (%)	=	13	%	Multiplex
Population Normal (%)	=	86	%	Multiplex
Population Apoptotic (%)	=	46	%	Multiplex
Population Healthy Nuclei (%)	=	60	%	Multiplex
Population Fragmented Nuclei (%)	=	15	%	Multiplex
Population Pyknosed Nuclei (%)	=	23	%	Multiplex
Population Mitotic Cells (%)	=	53	%	Multiplex
Population Tubulin-Different-Phenotype (%)	=	46	%	Multiplex
Population Mitochondria Different-Phenotype (%)	=	83	%	Multiplex
Population Membrane Permeable-Phenotype (%)	=	1	%	Multiplex
Control DMSO Total Cells	=	293	%	Multiplex
Control DMSO Apoptotic Cells (%)	=	42	%	Multiplex

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Adenine DNA glycosylase

External ID: CHEMBL5665446

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL5723574
ChEMBL Target Name: Adenine DNA glycosylase
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
Inhibition	=	-16.37	%	Outside typical range
Inhibition	=	13.84	%
Inhibition	=	-27.36	%	Outside typical range
Inhibition	=	30.48	%
Inhibition	=	19.35	%
Inhibition	=	-21.28	%	Outside typical range
Inhibition	=	35.6	%
Inhibition	=	10.69	%
Inhibition	=	4.772	%
Inhibition	=	19.47	%
Inhibition	=	22.67	%
Inhibition	=	10.52	%
Inhibition	=	-33.89	%	Outside typical range
Inhibition	=	17.81	%
Inhibition	=	-25.74	%	Outside typical range
Inhibition	=	0.02133	%
Inhibition	=	-0.5211	%
Inhibition	=	2.837	%
Inhibition	=	-5.481	%
Inhibition	=	4.928	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Transcription intermediary factor 1-alpha

External ID: CHEMBL5068376

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL3108638
ChEMBL Target Name: Transcription intermediary factor 1-alpha
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	-1.063	C	Thermal Shift Assay
Delta TM	=	-1.635	C	Thermal Shift Assay
Delta TM	=	-0.81	C
Delta TM	=	-1.89	C	Thermal Shift Assay
Delta TM	=	-1.777	C	Thermal Shift Assay
Delta TM	=	-0.6282	C	Thermal Shift Assay
Delta TM	=	0.05	C	Thermal Shift Assay
Delta TM	=	-0.9401	C	Thermal Shift Assay
Delta TM	=	-10.19	C	Thermal Shift Assay
Delta TM	=	-2.64	C
Delta TM	=	-3.32	C	Thermal Shift Assay
Delta TM	=	-1.35	C	Thermal Shift Assay
Delta TM	=	-0.62	C	Thermal Shift Assay
Delta TM	=	-1.882	C	Thermal Shift Assay
Delta TM	=	-1.86	C	Thermal Shift Assay
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	-0.2469	C	Thermal Shift Assay
Delta TM	=	-1.62	C	Thermal Shift Assay
Delta TM	=	-0.04	C	Thermal Shift Assay
Delta TM	=	0.09	C	Thermal Shift Assay

54573-75-0 靶点实验数据