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：Peregrin

External ID: CHEMBL4650107

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	=	-1.78	C
Delta TM	=	-1.51	C	Thermal Shift Assay
Delta TM	=	-1.41	C	Thermal Shift Assay
Delta TM	=	-1.6	C
Delta TM	=	-2.24	C	Thermal Shift Assay
Delta TM	=	-2.09	C	Thermal Shift Assay
Delta TM	=	-2.28	C	Thermal Shift Assay
Delta TM	=	-1.96	C	Thermal Shift Assay
Delta TM	=	-1.24	C	Thermal Shift Assay
Delta TM	=	-1.64	C	Thermal Shift Assay
Delta TM	=	-3.24	C
Delta TM	=	-2.18	C	Thermal Shift Assay
Delta TM	=	-2.03	C
Delta TM	=	-1.92	C	Thermal Shift Assay
Delta TM	=	-2.24	C
Delta TM	=	-2.19	C	Thermal Shift Assay
Delta TM	=	-2.72	C
Delta TM	=	-1.9	C	Thermal Shift Assay
Delta TM	=	0	C
Delta TM	=	-0.4	C

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：Induced myeloid leukemia cell differentiation protein Mcl-1

External ID: CHEMBL3131368

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 6
First Page: 1484
Last Page: 1488
DOI: 10.1016/j.bmcl.2014.02.010

Target ChEMBL ID: CHEMBL4361
ChEMBL Target Name: Induced myeloid leukemia cell differentiation protein Mcl-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

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.15	IC50	=	150	nM
73	IC50	=	73000	nM
4.9	IC50	=	4900	nM
1.8	IC50	=	1800	nM
1.1	IC50	=	1100	nM
22	IC50	=	22000	nM
25	IC50	>	25000	nM
3.4	IC50	=	3400	nM
2.2	IC50	=	2200	nM
37	IC50	=	37000	nM

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 phosphatase non-receptor type 1

External ID: CHEMBL905766

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2007
Volume: 15
Issue: 20
First Page: 6535
Last Page: 6548
DOI: 10.1016/j.bmc.2007.07.010

Target ChEMBL ID: CHEMBL335
ChEMBL Target Name: Protein-tyrosine phosphatase 1B
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
859	IC50	=	859000	nM	Outside typical range
1180	IC50	=	1180000	nM	Outside typical range
403	IC50	=	403000	nM	Outside typical range
148	IC50	=	148000	nM	Outside typical range
153	IC50	=	153000	nM	Outside typical range
57	IC50	=	57000	nM
1000	IC50	>	1000000	nM	Outside typical range
850	IC50	=	850000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
215	IC50	=	215000	nM	Outside typical range
6.5	Ki	=	6500	nM
19	IC50	=	19000	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL1042257

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2009
Volume: 52
Issue: 21
First Page: 6539
Last Page: 6542
DOI: 10.1021/jm9012592

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	0	%
Inhibition	=	26.2	%
Inhibition	=	26	%
Inhibition	=	19	%
Inhibition	=	0	%
Inhibition	=	0	%
Inhibition	=	0	%

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL3252206

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1978
Volume: 21
Issue: 11
First Page: 1093
Last Page: 1100
DOI: 10.1021/jm00209a001

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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	Standard Units
ED50	=	89	mg.kg-1
ED50	=	77	mg.kg-1
ED50	=	9.8	mg.kg-1
ED50	=	54	mg.kg-1
ED50	=	14	mg.kg-1
ED50	=	20	mg.kg-1
ED50	=	130	mg.kg-1
ED50	=	120	mg.kg-1
ED50	=	150	mg.kg-1
ED50	=	27	mg.kg-1
ED50	=	155	mg.kg-1
ED50	=	24	mg.kg-1
ED50	=	90	mg.kg-1
ED50	=	170	mg.kg-1
ED50	=	25	mg.kg-1
ED50	=	40	mg.kg-1
ED50	=	76	mg.kg-1
ED50	=	20	mg.kg-1
ED50	=	50	mg.kg-1
ED50	=	60	mg.kg-1

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

来源：ChEMBL 靶标：Transthyretin

External ID: CHEMBL702837

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2004
Volume: 47
Issue: 2
First Page: 355
Last Page: 374
DOI: 10.1021/jm030347n

Target ChEMBL ID: CHEMBL3194
ChEMBL Target Name: Transthyretin
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
Fibril formation	=	3.4	%
Fibril formation	=	4.9	%
Fibril formation	=	14.3	%
Fibril formation	=	13.3	%
Fibril formation	=	5.6	%
Fibril formation	=	4.8	%
Fibril formation	=	9.8	%
Fibril formation	=	100	%
Fibril formation	=	100	%
Fibril formation	=	46.3	%
Fibril formation	=	19.5	%
Fibril formation	=	10.2	%
Fibril formation	=	38.5	%
Fibril formation	=	4.5	%
Fibril formation	=	16.4	%
Fibril formation	=	19.6	%
Fibril formation	=	53.1	%
Fibril formation	=	6.7	%
Fibril formation	=	15.7	%
Fibril formation	=	2.6	%

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：Transthyretin

External ID: CHEMBL702836

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2004
Volume: 47
Issue: 2
First Page: 355
Last Page: 374
DOI: 10.1021/jm030347n

Target ChEMBL ID: CHEMBL3194
ChEMBL Target Name: Transthyretin
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
Fibril formation	=	37	%
Fibril formation	=	41.2	%
Fibril formation	=	51.5	%
Fibril formation	=	35.7	%
Fibril formation	=	32.4	%
Fibril formation	=	39.4	%
Fibril formation	=	40.9	%
Fibril formation	=	28.5	%
Fibril formation	=	35.1	%
Fibril formation	=	32.6	%
Fibril formation	=	39.4	%
Fibril formation	=	47.4	%
Fibril formation	=	35.5	%
Fibril formation	=	38.7	%
Fibril formation	=	35.7	%
Fibril formation	=	30.6	%
Fibril formation	=	38.7	%
Fibril formation	=	38.9	%
Fibril formation	=	32.7	%
Fibril formation	=	30	%

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：Albumin

External ID: CHEMBL835062

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2005
Volume: 48
Issue: 7
First Page: 2469
Last Page: 2479
DOI: 10.1021/jm049227l

Target ChEMBL ID: CHEMBL3253
ChEMBL Target Name: Serum albumin
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
138038000000	Ki	=	138038426460289	nM	Outside typical range
208930000000	Ki	=	208929613085404	nM	Outside typical range
354813000	Ki	=	3.5481338923358E11	nM	Outside typical range
39810700000	Ki	=	3.98107170553497E13	nM	Outside typical range
165959000000	Ki	=	165958690743756	nM	Outside typical range
331131000000	Ki	=	331131121482591	nM	Outside typical range
26302700000	Ki	=	2.63026799189538E13	nM	Outside typical range
208930000000	Ki	=	208929613085404	nM	Outside typical range
109648000000	Ki	=	109647819614318	nM	Outside typical range
331131000000	Ki	=	331131121482591	nM	Outside typical range
39810700000	Ki	=	3.98107170553497E13	nM	Outside typical range
53703200000	Ki	=	5.37031796370253E13	nM	Outside typical range
58884400000	Ki	=	5.88843655355588E13	nM	Outside typical range
15135600000	Ki	=	1.51356124843621E13	nM	Outside typical range
9549930000	Ki	=	9.54992586021437E12	nM	Outside typical range
416869000000	Ki	=	416869383470336	nM	Outside typical range
199526000000	Ki	=	199526231496888	nM	Outside typical range
100000000000	Ki	=	100000000000000	nM	Outside typical range
251189000000	Ki	=	251188643150958	nM	Outside typical range
5754400000	Ki	=	5.75439937337157E12	nM	Outside typical range

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：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：Transthyretin

External ID: CHEMBL4055896

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 15
First Page: 3441
Last Page: 3449
DOI: 10.1016/j.bmcl.2017.05.080

Target ChEMBL ID: CHEMBL3194
ChEMBL Target Name: Transthyretin
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	97	%
Inhibition	=	60	%
Inhibition	=	0	%
Inhibition	=	100	%
Inhibition	=	98	%
Inhibition	=	93	%
Inhibition	=	98	%
Inhibition	=	94	%
Inhibition	=	55	%
Inhibition	=	100	%
Inhibition	=	45	%
Inhibition	=	95	%
Inhibition	=	86	%
Inhibition	=	100	%
Inhibition	=	100	%
Inhibition	=	30	%
Inhibition	=	94	%
Inhibition	=	95	%
Inhibition	=	90	%
Inhibition	=	0	%

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

来源：ChEMBL 靶标：2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

External ID: CHEMBL4775522

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2021
Volume: 64
Issue: 1.0
First Page: 797
Last Page: 811
DOI: 10.1021/acs.jmedchem.0c01762

Target ChEMBL ID: CHEMBL4105941
ChEMBL Target Name: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	100	%
Activity	=	95	%
Activity	=	75.4	%
Activity	=	78.2	%
Activity	=	76	%
Activity	=	88.9	%
Activity	=	99.6	%
Activity	=	6.9	%
Activity	=	82.7	%
Activity	=	98.7	%
Activity	=	85.1	%
Activity	=	97	%
Activity	=	83.4	%
Activity	=	77	%
Activity	=	5.1	%
Activity	=	6	%
Activity	=	73.3	%
Activity	=	5.3	%
Activity	=	78.6	%
Activity	=	75.9	%

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

来源：ChEMBL 靶标：Transthyretin

External ID: CHEMBL4055897

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 15
First Page: 3441
Last Page: 3449
DOI: 10.1016/j.bmcl.2017.05.080

Target ChEMBL ID: CHEMBL3194
ChEMBL Target Name: Transthyretin
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value
Activity_index	=	0.14
Activity_index	=	0
Activity_index	=	0
Activity_index	=	1.38
Activity_index	=	0.2
Activity_index	=	0.2
Activity_index	=	0.14
Activity_index	=	0.74
Activity_index	=	0
Activity_index	=	1.36
Activity_index	=	0
Activity_index	=	1.56
Activity_index	=	0.08
Activity_index	=	0.53
Activity_index	=	0.16
Activity_index	=	0
Activity_index	=	0.23
Activity_index	=	0.08
Activity_index	=	0
Activity_index	=	0

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：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：2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

External ID: CHEMBL4775521

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2021
Volume: 64
Issue: 1.0
First Page: 797
Last Page: 811
DOI: 10.1021/acs.jmedchem.0c01762

Target ChEMBL ID: CHEMBL4105941
ChEMBL Target Name: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Activity				Not Determined
Activity	=	5.03	%
Activity	=	24.6	%
Activity	=	21.8	%
Activity	=	24	%
Activity	=	11.1	%
Activity	=	0.43	%
Activity	=	93.1	%
Activity	=	17.4	%
Activity	=	1.29	%
Activity	=	14.9	%
Activity	=	2.98	%
Activity	=	16.6	%
Activity	=	23	%
Activity	=	94.9	%
Activity	=	94	%
Activity	=	26.7	%
Activity	=	94.7	%
Activity	=	21.4	%
Activity	=	24.1	%

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：ChEMBL 靶标：2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

External ID: CHEMBL4775525

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: J Med Chem
Year: 2021
Volume: 64
Issue: 1.0
First Page: 797
Last Page: 811
DOI: 10.1021/acs.jmedchem.0c01762

Target ChEMBL ID: CHEMBL4105941
ChEMBL Target Name: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
3.29	IC50	=	3290	nM
88	IC50	=	88000	nM
1.32	IC50	=	1320	nM
44.1	IC50	=	44100	nM
20.1	IC50	=	20100	nM
4.61	IC50	=	4610	nM
47.9	IC50	=	47900	nM
27.1	IC50	=	27100	nM

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

来源：ChEMBL 靶标：Dihydrofolate reductase

External ID: CHEMBL4621660

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2020
Volume: 63
Issue: 15
First Page: 8314
Last Page: 8324
DOI: 10.1021/acs.jmedchem.0c00546

Target ChEMBL ID: CHEMBL202
ChEMBL Target Name: Dihydrofolate reductase
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
1800	Ki	=	1800000	nM	Outside typical range
160	Ki	=	160000	nM	Outside typical range
72	Ki	=	72000	nM
7000	Ki	=	7000000	nM	Outside typical range
34	Ki	=	34000	nM
2800	Ki	=	2800000	nM	Outside typical range
6500	IC50	=	6500000	nM	Outside typical range
880	Ki	=	880000	nM	Outside typical range
48	Ki	=	48000	nM
140	Ki	=	140000	nM	Outside typical range
18000	Ki	=	18000000	nM	Outside typical range
810	Ki	=	810000	nM	Outside typical range
180	Ki	=	180000	nM	Outside typical range
3400	Ki	=	3400000	nM	Outside typical range
180	Ki	=	180000	nM	Outside typical range

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

来源：DTP/NCI 靶标：N/A

External ID: MCF7_OneDose

Protocol: NCI-60 Human Tumor Cell Lines Screen was performed using the standard one-dose NCI protocol, which is described in more detail at https://dtp.cancer.gov/discovery_development/nci-60/default.htm.

Compounds with GIPRCNT values below 10 were considered active. Activity score was based on GIPRCNT using the following formula:
max(-GIPRCNT/2 + 50, 0)
Score is 0 for GIPRCNT values of 100 or above, 50 for GIPRCNT values of 0, and 100 for GIPRCNT values of -100.

Comment: These data are a subset of the data from the NCI human tumor cell line screen. Compounds are identified by the NCI National Service Center (NSC) number, which is contained in the
PUBCHEM_EXT_DATASOURCE_REGID field. In the NCI cell line identification system, MCF7 is panel number 5, cell number 1. PANELCODE or PANELNAME identify the NCI-60 cell panel. PANELNBR does NOT identify the NCI-60 panel.

EXPID is the NCI internal tracking number for the experiment identifier, and PREFIX = 'S' for the NSCs submitted through the NCI Chemical Agents repository.

Substance concentration unit is indicated in the data table, using the following abbreviations: M = molar (M), u = micrograms/milliliter (microg/mL), V = volumetric fraction.

M_GIPRCNT represents the mean growth percent for that experiment, and N_GIPRCNT indicates the number of values for that NSC within an experiment, while STDEV_GIPRCNT is the standard deviation. Most NSCs are tested once per experiment, resulting in EXP_COUNT = 1.

EXPID	PREFIX	CONCENTRATION_UNIT	CONCENTRATION	PANELNBR	CELLNBR	PANELNAME	CELLNAME	PANELCODE	M_GIPRCNT	N_GIPRCNT	EXP_COUNT
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	88.231	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	87.1119	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	14.4371	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	89.7113	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	97.2463	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	90.0129	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	85.7031	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	30.8539	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	14.2896	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	85.8526	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	83.1036	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	84.2194	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	89.3237	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	85.6034	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	89.6643	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	91.2503	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	94.8714	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	93.7372	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	112.6132	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	73.375	1	1

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

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

来源：DTP/NCI 靶标：N/A

External ID: IGROV1_OneDose

Protocol: NCI-60 Human Tumor Cell Lines Screen was performed using the standard one-dose NCI protocol, which is described in more detail at https://dtp.cancer.gov/discovery_development/nci-60/default.htm.

Compounds with GIPRCNT values below 10 were considered active. Activity score was based on GIPRCNT using the following formula:
max(-GIPRCNT/2 + 50, 0)
Score is 0 for GIPRCNT values of 100 or above, 50 for GIPRCNT values of 0, and 100 for GIPRCNT values of -100.

Comment: These data are a subset of the data from the NCI human tumor cell line screen. Compounds are identified by the NCI National Service Center (NSC) number, which is contained in the
PUBCHEM_EXT_DATASOURCE_REGID field. In the NCI cell line identification system, IGROV1 is panel number 6, cell number 10. PANELCODE or PANELNAME identify the NCI-60 cell panel. PANELNBR does NOT identify the NCI-60 panel.

EXPID is the NCI internal tracking number for the experiment identifier, and PREFIX = 'S' for the NSCs submitted through the NCI Chemical Agents repository.

Substance concentration unit is indicated in the data table, using the following abbreviations: M = molar (M), u = micrograms/milliliter (microg/mL), V = volumetric fraction.

M_GIPRCNT represents the mean growth percent for that experiment, and N_GIPRCNT indicates the number of values for that NSC within an experiment, while STDEV_GIPRCNT is the standard deviation. Most NSCs are tested once per experiment, resulting in EXP_COUNT = 1.

EXPID	PREFIX	CONCENTRATION_UNIT	CONCENTRATION	PANELNBR	CELLNBR	PANELNAME	CELLNAME	PANELCODE	M_GIPRCNT	N_GIPRCNT	EXP_COUNT
0809OS51	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	89.6274	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	94.0185	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	77.1805	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	76.1686	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	82.5618	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	88.7561	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	83.5845	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	92.7497	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	70.9555	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	58.7306	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	72.6041	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	90.3839	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	110.2345	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	97.6538	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	93.7697	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	56.4618	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	80.8893	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	79.078	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	-20.3008	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	72.0949	1	1

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

来源：ChEMBL 靶标：Fibroblast growth factor receptor 3

External ID: CHEMBL5064660

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL2742
ChEMBL Target Name: Fibroblast growth factor receptor 3
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	=	0.7492	C	Thermal Shift Assay
Delta TM	=	0.2121	C	Thermal Shift Assay
Delta TM	=	0.26	C
Delta TM	=	0.23	C	Thermal Shift Assay
Delta TM	=	1.695	C	Thermal Shift Assay
Delta TM	=	0.0801	C	Thermal Shift Assay
Delta TM	=	0.12	C	Thermal Shift Assay
Delta TM	=	0.00436	C	Thermal Shift Assay
Delta TM	=	-0.4219	C	Thermal Shift Assay
Delta TM	=	0.59	C
Delta TM	=	0.07	C	Thermal Shift Assay
Delta TM	=	0.13	C	Thermal Shift Assay
Delta TM	=	0.01	C	Thermal Shift Assay
Delta TM	=	0.04669	C	Thermal Shift Assay
Delta TM	=	0.09916	C	Thermal Shift Assay
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	1.03	C	Thermal Shift Assay
Delta TM	=	0.41	C	Thermal Shift Assay
Delta TM	=	0.25	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

323-87-5 靶点实验数据