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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL1059360

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2009
Volume: 52
Issue: 21
First Page: 6835
Last Page: 6850
DOI: 10.1021/jm900964r

Target ChEMBL ID: CHEMBL235
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
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 Comment
FC	=	1.9
FC	=	2
FC	=	1.2
FC	=	1.2
FC	=	1
FC	=	1.8
FC	=	1.3
FC			Not Active
FC	=	1.3
FC	=	2.5
FC	=	1.25
FC	=	2.7
FC	=	1.8
FC	=	2.4
FC	=	1.3
FC	=	1.6
FC	=	2
FC	=	4.6
FC	=	2.3
FC	=	1.9

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL5128740

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2022
Volume: 237
First Page: 114405
Last Page: 114405
DOI: 10.1016/j.ejmech.2022.114405

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
Activity	=	63.5	%

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

来源：ChEMBL 靶标：Macrophage migration inhibitory factor

External ID: CHEMBL1021636

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: 2009
Volume: 52
Issue: 2
First Page: 416
Last Page: 424
DOI: 10.1021/jm801100v

Target ChEMBL ID: CHEMBL2085
ChEMBL Target Name: Macrophage migration inhibitory factor
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	Activity Comment	Data Validity Comment
4.3	Ki	=	4300	nM
0.47	Ki	=	470	nM
2.1	Ki	=	2100	nM
	Activity				Not Active
1.6	Ki	=	1600	nM
530	IC50	=	530000	nM		Outside typical range
980	IC50	=	980000	nM		Outside typical range
300	IC50	=	300000	nM		Outside typical range
430	IC50	=	430000	nM		Outside typical range
4.2	IC50	=	4200	nM
4.5	IC50	=	4500	nM

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

来源：24642 靶标：ubiquitin specific peptidase 8

External ID: USP8 FAST DUB HTS Primary

Protocol: Deubiquitinases were purified from E. Coli. Ub-Rho substrate was purchased from Boston BioChem (Cat #: U-555). Assay buffer consisted of 50 mM Tris pH 8, 50 mM NaCl, 0.002% Tween20, 5 mM DTT in MilliQ water. Stop buffer consisted of assay buffer + 0.2% trifluoroacetic acid.

Protocol for Inhibitors of USP8: Primary Screen
1.#Compound, 20 nL of screening compounds (final concentration of 20 uM) to columns 1-46 of a Greiner 1536 well Black, flat bottom, polystyrene microplate (Griener 782076) (columns 45-46: DMSO control)
2.#Reagent, 2.5 uL of assay buffer to columns 47-48 on all plates (No enzyme control)
3.#Reagent, 2.5 uL of USP8 in assay buffer (final concentration of 1 nM) to columns 1-46
4.#Reagent, 2.5 uL of Ub-Rho in assay buffer (final concentration of 50 nM) to all wells
5.#Time, Incubate at room temperature for 30 minutes
6.#Detection, Fluorescence, PheraStar, FITC Module

Comment: Normalization of raw data to positive and negative control wells were applied to the data using Helios, a high-throughput screening data analysis program developed at Novartis.(Gubler et al., 2018)

Compounds demonstrating greater than or equal to 30% inhibition of USP8 (USP8_EFFICACY >/= 30) were called as active, compounds demonstrating activity below this threshold were called as inactive.

USP8-Efficacy
46.639
-12.507
31.998
5.438
-6.685
15.21
-15.155
14.048
-4.808
14.043
13.854
55.661
-5.386
27.936
7.845
12.88
0.228
3.333
-3.366
0.283

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

来源：ChEMBL 靶标：N9

External ID: CHEMBL4001903

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: 2017
Volume: 27
Issue: 4
First Page: 973
Last Page: 978
DOI: 10.1016/j.bmcl.2016.12.075

Target ChEMBL ID: CHEMBL613516
ChEMBL Target Name: N9
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
100	IC50	>	100000	nM
68.02	IC50	=	68020	nM
	Inhibition			%	Dose-dependent effect
2.68	IC50	=	2680	nM
	Inhibition			%	Dose-dependent effect
100	IC50	>	100000	nM
17.87	IC50	=	17870	nM
	Inhibition			%	Dose-dependent effect
100	IC50	>	100000	nM
45.54	IC50	=	45540	nM
	Inhibition			%	Dose-dependent effect
100	IC50	>	100000	nM
100	IC50	>	100000	nM
17.43	IC50	=	17430	nM
	Inhibition			%	Dose-dependent effect
75.2	IC50	=	75200	nM
	Inhibition			%	Dose-dependent effect
100	IC50	>	100000	nM
11.21	IC50	=	11210	nM
	Inhibition			%	Dose-dependent effect

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

来源：24642 靶标：ubiquitin specific peptidase 17 like family member 5

External ID: USP17 FAST DUB HTS Primary

Protocol: Deubiquitinases were purified from E. Coli. Ub-Rho substrate was purchased from Boston BioChem (Cat #: U-555). Assay buffer consisted of 50 mM Tris pH 8, 50 mM NaCl, 0.002% Tween20, 5 mM DTT in MilliQ water. Stop buffer consisted of assay buffer + 0.2% trifluoroacetic acid.

Protocol for Inhibitors of USP17: Primary Screen
1. Compound, 50 nL of screening compounds (final concentration of 50 uM) to columns 1-46 of a Greiner 1536 well Black, flat bottom, polystyrene microplate (Griener 782076) (columns 45-46: DMSO control)
2. Reagent, 2.5 uL of assay buffer to columns 47-48 on all plates (No enzyme control)
3. Reagent, 2.5 uL of USP17 in assay buffer (final concentration of 1 nM) to columns 1-46
4. Reagent, 2.5 uL of Ub-Rho in assay buffer (final concentration of 40 nM) to all wells
5. Time, Incubate at room temperature for 3 hours
6. Reagent, 2.5 uL of stop buffer to all wells
7. Centrifuge plates (5s, 350 rpm)
8. Detection, Fluorescence, PheraStar, FITC Module

Comment: Normalization of raw data to positive and negative control wells were applied to the data using Helios, a high-throughput screening data analysis program developed at Novartis.(Gubler et al., 2018)

Compounds demonstrating greater than or equal to 30% inhibition of USP17 (USP17_EFFICACY >/= 30) were called as active, compounds demonstrating activity below this threshold were called as inactive.

USP17-Efficacy
-11.703
-22.774
-17.896
1.991
13.524
0.0347
-9.782
55.109
-7.352
14.263
28.858
-17.021
12.515
47.032
7.524
3.661
-9.31
-4.13
17.206
2.868

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

来源：Shanghai Institute of Organic Chemistry 靶标：N/A

External ID: PDBbind-IC50 for protein-ligand complexes

Protocol:

Comment:

PDBbind Data Link	Affinity_Quilifier	IC50	PubMed	Protein Target	Protein Name	MMDB	PDB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1a5v	=	800	9560188	1A5V_A	hiv-1 integrase	47769	1A5V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1a86	=	101	9655333	1A86_A	matrix metalloproteinase 8	103932	1A86
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1aq1	=	0.007	9334743	1AQ1_A	cell division protein kinase 2	55315	1AQ1
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1b9v	=	224	10547289	1B9V_A	neuraminidase	12109	1B9V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bji	=	0.002	9526556	1BJI_A	neuraminidase	55572	1BJI
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bl6	=	0.16	9753691	1BL6_A	p38 map kinase	10741	1BL6
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bl7	=	0.019	9753691	1BL7_A	p38 map kinase	10742	1BL7
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bmb	=	0.7	10090780	1BMB_A	growth factor receptor bound protein 2	11943	1BMB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bqm	=	0.045	9813120	1BQM_A,1BQM_B	hiv-1 reverse transcriptase	8918	1BQM
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bqo	=	0.0184	9733482	1BQO_B	stromelysin-1	10761	1BQO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bug	=	43	9846879	1BUG_A	catechol oxidase	11222	1BUG
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bzs	=	0.01	10354399	1BZS_A	neutrophil collagenase (mmp8)	13354	1BZS
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c29	=	0.472	10504236	1C29_A	tryptophan synthase	12415	1C29
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c3i	=	1.6	10877850	1C3I_B	stromelysin-1	13815	1C3I
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c8k	=	1	10924512	1C8K_A	glycogen phosphorylase	13391	1C8K
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c8v	=	0.472	10504236	1C8V_A	tryptophan synthase (alpha chain)	12428	1C8V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1cw2	=	0.715	10504236	1CW2_A	tryptophan synthase (alpha chain)	11701	1CW2
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1cx9	=	0.178	10504236	1CX9_A	tryptophan synthase (alpha chain)	11702	1CX9
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1d7x	=	0.003	10639284	1D7X_A,1D7X_B	stromelysin-1 precursor	14788	1D7X
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1dbj	=	0.021	8413674	1DBJ_L,1DBJ_H	antibody fab fragment	734	1DBJ

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

来源：24642 靶标：ubiquitin specific peptidase 7

External ID: USP7 FAST DUB HTS Primary

Protocol: Deubiquitinases were purified from E. Coli. Ub-Rho substrate was purchased from Boston BioChem (Cat #: U-555). Assay buffer consisted of 50 mM Tris pH 8, 50 mM NaCl, 0.002% Tween20, 5 mM DTT in MilliQ water. Stop buffer consisted of assay buffer + 0.2% trifluoroacetic acid.

Protocol for Inhibitors of USP7: Primary Screen
1. Reagent, 2.5 uL of USP7 in assay buffer (final concentration of 4 nM) to columns 1-46 of a Greiner 1536 well Black, flat bottom, polystyrene microplate (Griener 782076)
2. Compound, 20 nL of screening compounds (final concentration of 20 uM) to columns 1-46 (columns 45-46: DMSO control)
3. Reagent, 2.5 uL of assay buffer to columns 47-48 on all plates (No enzyme control)
4. Time, Incubate at room temperature for 60 minutes
5. Reagent, 2.5 uL of Ub-Rho in assay buffer (final concentration of 40 nM) to all wells
6. Time, Incubate at room temperature for 10 minutes
7. Detection, Fluorescence, PheraStar, FITC Module

Comment: Normalization of raw data to positive and negative control wells were applied to the data using Helios, a high-throughput screening data analysis program developed at Novartis.(Gubler et al., 2018)

Compounds demonstrating greater than or equal to 30% inhibition of USP7 (USP7_EFFICACY >/= 30) were called as active, compounds demonstrating activity below this threshold were called as inactive.

USP7_EFFICACY
-0.801
-6.934
-7.543
2.861
2.363
-17.749
-0.834
-2.389
0.879
0.233
2.8
-8.773
-0.815
-0.271
7.414
-5.634
0.496
3.06
-13.572
5.477

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: CHEMBL3301363

Protocol: N/A

Comment: Data Source: AstraZeneca DMPK/physicochemical

Standard Type	Standard Value
LogD7.4	1.56
LogD7.4	1.39
LogD7.4	-0.78
LogD7.4	2.22
LogD7.4	3
LogD7.4	1.91
LogD7.4	-0.84
LogD7.4	1.19
LogD7.4	-1.08
LogD7.4	3.08
LogD7.4	3.65
LogD7.4	-0.5
LogD7.4	2.43
LogD7.4	2.3
LogD7.4	3.65
LogD7.4	4.3
LogD7.4	3.26
LogD7.4	2.55
LogD7.4	1.69
LogD7.4	1.46

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

来源：ChEMBL 靶标：Xanthine dehydrogenase/oxidase

External ID: CHEMBL991725

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: 2008
Volume: 18
Issue: 18
First Page: 5006
Last Page: 5009
DOI: 10.1016/j.bmcl.2008.08.016

Target ChEMBL ID: CHEMBL1929
ChEMBL Target Name: Xanthine dehydrogenase
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
6.6	IC50	=	6600	nM
21.8	IC50	=	21800	nM
1000	IC50	>	1000000	nM	Outside typical range
682.6	IC50	=	682600	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：N/A

External ID: CHEMBL988118

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: 2008
Volume: 18
Issue: 18
First Page: 5006
Last Page: 5009
DOI: 10.1016/j.bmcl.2008.08.016

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0489	IC50	=	48.9	nM
0.0215	IC50	=	21.5	nM
0.0326	IC50	=	32.6	nM
1	IC50	>	1000	nM
0.0523	IC50	=	52.3	nM

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

来源：ChEMBL 靶标：BV-2

External ID: CHEMBL4047079

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: 2017
Volume: 27
Issue: 20
First Page: 4765
Last Page: 4769
DOI: 10.1016/j.bmcl.2017.08.047

Target ChEMBL ID: CHEMBL614781
ChEMBL Target Name: BV-2
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
73.02	IC50	=	73020	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
18.66	IC50	=	18660	nM
100	IC50	>	100000	nM
80.51	IC50	=	80510	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
13.19	IC50	=	13190	nM
39.56	IC50	=	39560	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
18.46	IC50	=	18460	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
6.87	IC50	=	6870	nM

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

来源：ChEMBL 靶标：Replicase polyprotein 1ab

External ID: CHEMBL4495582

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4523582
ChEMBL Target Name: Replicase polyprotein 1ab
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: SARS-CoV-2 Screening Data

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	13.77	%
Inhibition	=	2.35	%
Inhibition	=	21.17	%
Inhibition	=	18.36	%
Inhibition	=	5.381	%
Inhibition	=	18.17	%
Inhibition	=	10.15	%
Inhibition	=	29.56	%
Inhibition	=	18.27	%
Inhibition	=	11.42	%
Inhibition	=	15.4	%
Inhibition	=	7.437	%
Inhibition	=	-3.216	%
Inhibition	=	18	%
Inhibition	=	1.021	%
Inhibition	=	16.4	%
Inhibition	=	2.544	%
Inhibition	=	19.11	%
Inhibition	=	26.15	%
Inhibition	=	5.133	%

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL1059361

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2009
Volume: 52
Issue: 21
First Page: 6835
Last Page: 6850
DOI: 10.1021/jm900964r

Target ChEMBL ID: CHEMBL235
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
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
FC	=	5.4
FC	=	3.4
FC	=	9.6
FC	=	1.3
FC	=	1.7
FC	=	7.5
FC	=	4
FC	=	3.5
FC	=	5
FC	=	7.3
FC	=	1.3
FC	=	2.6
FC	=	2.2
FC	=	2.2
FC	=	5
FC	=	7.7
FC	=	12.8
FC	=	4.4
FC	=	6.3
FC	=	3.8

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

来源：ChEMBL 靶标：Leishmania donovani

External ID: CHEMBL969034

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. Nat. Prod.
Year: 2006
Volume: 69
Issue: 1
First Page: 43
Last Page: 49
DOI: 10.1021/np0502600

Target ChEMBL ID: CHEMBL367
ChEMBL Target Name: Leishmania donovani
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
1.5	IC50	=	1500	nM
	IC50				Not Determined
	IC50				Not Determined
	IC50				Not Determined
	IC50				Not Determined
250	IC50	>	250000	nM		Outside typical range
20.7	IC50	=	20700	nM
89.9	IC50	=	89900	nM
	IC50				Not Determined
250	IC50	>	250000	nM		Outside typical range
100	IC50	=	100000	nM
38.4	IC50	=	38400	nM
13	IC50	=	13000	nM
250	IC50	>	250000	nM		Outside typical range
250	IC50	>	250000	nM		Outside typical range
37.3	IC50	=	37300	nM
113	IC50	=	113000	nM		Outside typical range
123	IC50	=	123000	nM		Outside typical range
	IC50				Not Determined

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

来源：ChEMBL 靶标：Macrophage migration inhibitory factor

External ID: CHEMBL3804638

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: 2016
Volume: 26
Issue: 12
First Page: 2764
Last Page: 2767
DOI: 10.1016/j.bmcl.2016.04.074

Target ChEMBL ID: CHEMBL2085
ChEMBL Target Name: Macrophage migration inhibitory factor
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
10.9	Ki	=	10900	nM
45.2	Ki	=	45200	nM

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

来源：ChEMBL 靶标：Vero

External ID: CHEMBL969036

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. Nat. Prod.
Year: 2006
Volume: 69
Issue: 1
First Page: 43
Last Page: 49
DOI: 10.1021/np0502600

Target ChEMBL ID: CHEMBL391
ChEMBL Target Name: Vero
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
	IC50				Not Determined
	IC50				Not Determined
	IC50				Not Determined
135	IC50	=	135000	nM		Outside typical range
	IC50				Not Determined
250	IC50	>	250000	nM		Outside typical range
65.6	IC50	=	65600	nM
	IC50				Not Determined
	IC50				Not Determined
250	IC50	>	250000	nM		Outside typical range
159	IC50	=	159000	nM		Outside typical range
	IC50				Not Determined
37.5	IC50	=	37500	nM
250	IC50	>	250000	nM		Outside typical range
	IC50				Not Determined
3.3	IC50	=	3300	nM
	IC50				Not Determined
134	IC50	=	134000	nM		Outside typical range
0.0012	IC50	=	1.2	nM

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

来源：ChEMBL 靶标：Trypanosoma brucei brucei

External ID: CHEMBL969035

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. Nat. Prod.
Year: 2006
Volume: 69
Issue: 1
First Page: 43
Last Page: 49
DOI: 10.1021/np0502600

Target ChEMBL ID: CHEMBL612851
ChEMBL Target Name: Trypanosoma brucei brucei
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
	IC50				Not Determined
	IC50				Not Determined
100	IC50	>	100000	nM
7.1	IC50	=	7100	nM
0.19	IC50	=	190	nM
43.1	IC50	=	43100	nM
32.8	IC50	=	32800	nM
12.3	IC50	=	12300	nM
90.2	IC50	=	90200	nM
130	IC50	=	130000	nM		Outside typical range
12.7	IC50	=	12700	nM
57.9	IC50	=	57900	nM
12.1	IC50	=	12100	nM
250	IC50	>	250000	nM		Outside typical range
32.3	IC50	=	32300	nM
3.7	IC50	=	3700	nM
94.2	IC50	=	94200	nM
75.3	IC50	=	75300	nM
	IC50				Not Determined

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

来源：ChEMBL 靶标：Xanthine dehydrogenase/oxidase

External ID: CHEMBL990777

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 18
First Page: 5006
Last Page: 5009
DOI: 10.1016/j.bmcl.2008.08.016

Target ChEMBL ID: CHEMBL1929
ChEMBL Target Name: Xanthine dehydrogenase
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
1000	IC50	>	1000000	nM	Outside typical range
11.4	IC50	=	11400	nM
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range

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

来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：N/A

External ID: HMS1482

Protocol: Prior to screening, cells were passaged in high glucose DMEM supplemented with 10% FBS, 1% P/S, 1 mM pyruvate, and HEPES. Media was changed every 1-2 days to prevent starvation and maintain cellular health.

On the day of screening, 384-well plates (Corning 3765) were filled with 30 uL of control cybrid cell suspension (33.3 cells/ul). Media for resuspension was DMEM supplemented with 10% FBS, 1% P/S, 1 mM pyruvate, and HEPES. Positive control columns were 23 and 24 for most plate setups. Initially, tunicamycin (15 nM) and galactose media (10 mM + 1 mM glucosamine) were used in columns 23 and 24, respectively. Over the course of the screen, galactose was substituted with Vidofludimus (11 uM). Next, 33 nL of each compound were pin-transferred to each plate in duplicate. Final assay well volume was 30 uL. Plates were stacked 2 high, covered with lids, and incubated at 37 degrees C for 2 days.

After 2 days of incubation, Hoescht (10 ul/well) was added to assay plates and fluorescence was read using the Acumen laser scanning cytometer. After, the bottom of plates were sealed with two layers of Brightmax Sealing Films. Then Promega NanoGlo Live cell reagent (20 ul/well) was added to each well and luminescence was read on a PerkinElmer EnVision plate reader after 5 minute of shaking.

Comment: Data analysis method and criteria for scoring active compounds:

Normalized luminescence values (luminescence / cell number) for each replicate were calculated (based on average of 2 luminescence reads per replicate). Z-scores were calculated using the plate average and standard deviation of experimental well normalized values. Each plate replicate was individually analyzed to measure reproducibility across plates. Z-scores were then averaged across replicates and a Z-score threshold of 1.96 was selected for positive hits, indicating increased mitochondrial supercomplex formation. Wells were excluded from further consideration based on low cell number (1 or both replicates with number of objects count < 1500). Activity scores were determined by scaling Z-scores from 0 (activity score = 0) to 4 (activity score = 100), with activity score > 50 being considered active. Z-scores < 0 were set to activity score = 0; Z-scores > 4 were set to activity score = 100 (100% activity).

Luminescence_R1_A	Luminescence_R2_A	Hoechst_NumObjects_A	Luminescence_R1_B	Luminescence_R2_B	Hoechst_NumObjects_B	AvgLumin_A	Ratio_A	AvgLumin_B	Ratio_B	Hoescht_Avg	Ratio_Z score	Comment	Molar Concentration
300583	296601	4427	396274	381039	4754	298592	67.4479	388656	81.7536	4590.5	-0.509481		2 mM
306398	301530	3313	363462	354883	3423	303964	91.7489	359172	104.929	3368	0.282407		10 mM
322997	324293	4706	384126	370237	4185	323645	68.7728	377182	90.127	4445.5	-0.349379		2 mM
281487	277179	4410	298737	291541	4419	279333	63.3408	295139	66.7886	4414.5	-0.825012		10 mM
331940	327309	5409	320983	313490	4732	329624	60.94	317236	67.0407	5070.5	-0.861447		2 mM
101988	101433	913	127273	124739	927	101710	111.403	126006	135.929			cell number censor	10 mM
122293	122501	1000	135445	129828	1047	122397	122.397	132636	126.682			cell number censor	2 mM
316688	312699	1842	298171	292561	1315	314694	170.843	295366	224.613			cell number censor	10 mM
258618	257273	4710	308202	299107	4705	257946	54.7655	303654	64.5387	4707.5	-1.00696		2 mM
70324	70701	868	77408	74279	811	70512.5	81.2356	75843.5	93.5185			cell number censor	10 mM
73576	72866	842	81944	78131	830	73221	86.9608	80037.5	96.4307			cell number censor	2 mM
138603	137684	180	161874	155778	147	138144	767.464	158826	1080.45			cell number censor	10 mM
368812	365517	4887	445802	425830	4751	367164	75.1309	435816	91.7314	4819	-0.215527		2 mM
359852	345717	5201	364558	356321	4142	352784	67.8301	360440	87.0206	4671.5	-0.4164		10 mM
353919	347636	5169	378702	373151	5130	350778	67.8618	375926	73.28	5149.5	-0.641841		2 mM
263483	256439	4783	312776	297786	4679	259961	54.351	305281	65.2449	4731	-1.00235		10 mM
69598	71606	920	86471	85522	1026	70602	76.7413	85996.5	83.8173			cell number censor	2 mM
358841	347359	4602	354858	348321	4956	353100	76.7275	351590	70.9422	4779	-0.530435		400 uM
354573	346532	5377	378990	366658	5229	350552	65.1948	372824	71.2993	5303	-0.719494		80 uM
316098	310121	4700	323640	306279	4397	313110	66.619	314960	71.6305	4548.5	-0.689973		400 uM

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: CHEMBL4823511

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 Nat Prod
Year: 2021
Volume: 84
Issue: 3.0
First Page: 654
Last Page: 665
DOI: 10.1021/acs.jnatprod.0c01387

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
70	IC50	=	70000	nM
0.6	IC50	=	600	nM
120	IC50	=	120000	nM	Outside typical range
93	IC50	=	93000	nM
63	IC50	=	63000	nM
100	IC50	=	100000	nM
92	IC50	=	92000	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: CHEMBL1014690

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 1995
Volume: 58
Issue: 2
First Page: 217
Last Page: 225
DOI: 10.1021/np50116a009

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active

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: CHEMBL4035961

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 14
First Page: 3706
Last Page: 3713
DOI: 10.1016/j.bmc.2017.05.009

Target ChEMBL ID: CHEMBL335
ChEMBL Target Name: Protein-tyrosine phosphatase 1B
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	=	29	%
Inhibition	=	43	%
Inhibition	=	28	%
Inhibition	=	55	%
Inhibition	=	48	%
Inhibition	=	18	%
Inhibition	=	20	%
Inhibition	=	75	%
Inhibition	=	18	%
Inhibition	=	98	%
Inhibition	=	33	%
Inhibition	=	15	%
Inhibition	=	19	%
Inhibition	=	79	%
Inhibition	=	73	%
Inhibition	=	47	%
Inhibition	=	36	%
Inhibition	=	46	%
Inhibition	=	94	%
Inhibition	=	52	%

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

来源：ChEMBL 靶标：DNA topoisomerase 2-alpha

External ID: CHEMBL1014691

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 1995
Volume: 58
Issue: 2
First Page: 217
Last Page: 225
DOI: 10.1021/np50116a009

Target ChEMBL ID: CHEMBL1806
ChEMBL Target Name: DNA topoisomerase II 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

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active

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: CHEMBL4035959

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 14
First Page: 3706
Last Page: 3713
DOI: 10.1016/j.bmc.2017.05.009

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	14	%
Inhibition	=	22	%
Inhibition	=	0	%
Inhibition	=	0	%
Inhibition	=	6	%
Inhibition	=	56	%
Inhibition	=	9	%
Inhibition	=	0	%
Inhibition	=	3	%
Inhibition	=	25	%
Inhibition	=	3	%
Inhibition	=	73	%
Inhibition	=	11	%
Inhibition	=	41	%
Inhibition	=	0	%
Inhibition	=	4	%
Inhibition	=	19	%
Inhibition	=	34	%
Inhibition	=	3	%
Inhibition	=	8	%

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: CHEMBL1291750

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2010
Volume: 45
Issue: 11
First Page: 5071
Last Page: 5079
DOI: 10.1016/j.ejmech.2010.08.016

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
34	ED50	=	34	uM
29	ED50	=	29	uM
29	ED50	=	29	uM
36	ED50	=	36	uM
105	ED50	=	105	uM
663	ED50	=	663	uM
32	ED50	=	32	uM
63	ED50	=	63	uM
12	ED50	=	12	uM
812	ED50	=	812	uM
26	ED50	=	26	uM
232	ED50	=	232	uM
62	ED50	=	62	uM
23	ED50	=	23	uM
22	ED50	=	22	uM
31	ED50	=	31	uM
56	ED50	=	56	uM
224	ED50	=	224	uM
111	ED50	=	111	uM
46	ED50	=	46	uM

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

来源：ChEMBL 靶标：RAW264.7

External ID: CHEMBL4035957

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 14
First Page: 3706
Last Page: 3713
DOI: 10.1016/j.bmc.2017.05.009

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	13	%
Inhibition	=	6	%
Inhibition	=	0	%
Inhibition	=	5	%
Inhibition	=	14	%
Inhibition	=	39	%
Inhibition	=	1	%
Inhibition	=	26	%
Inhibition	=	58	%
Inhibition	=	16	%
Inhibition	=	0	%
Inhibition	=	22	%
Inhibition	=	0	%
Inhibition	=	19	%
Inhibition	=	0	%
Inhibition	=	1	%
Inhibition	=	0	%
Inhibition	=	14	%
Inhibition	=	0	%
Inhibition	=	3	%

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

来源：ChEMBL 靶标：HepG2

External ID: CHEMBL4035954

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 14
First Page: 3706
Last Page: 3713
DOI: 10.1016/j.bmc.2017.05.009

Target ChEMBL ID: CHEMBL395
ChEMBL Target Name: HepG2
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	29	%
GI	=	28	%
GI	=	3	%
GI	=	18	%
GI	=	0	%
GI	=	14	%
GI	=	22	%
GI	=	6	%
GI	=	21	%
GI	=	2	%
GI	=	0	%
GI	=	5	%
GI	=	6	%
GI	=	40	%
GI	=	39	%
GI	=	0	%
GI	=	13	%
GI	=	24	%
GI	=	7	%
GI	=	0	%

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: CHEMBL4513082

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	Standard Units
Inhibition	=	0.24	%
Inhibition	=	4.58	%
Inhibition	=	-0.3	%
Inhibition	=	-0.3	%
Inhibition	=	-0.04	%
Inhibition	=	-0.04	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	0.03	%
Inhibition	=	0	%
Inhibition	=	0.03	%
Inhibition	=	0	%
Inhibition	=	-0.27	%
Inhibition	=	-0.27	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	14.41	%
Inhibition	=	0.39	%

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

来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：Cellular tumor antigen p53

External ID: HMS1485

Protocol: Prior to screening, HeLa cells were transduced with a lentivirus carrying the vector PHAGE-N CMVt N-RIG3 p53(R273C) encoding constitutively expressed SGFP2 fused to histone 2B and mRuby-p53(R273C). Following transduction, the cells were selected using neomycin and fluorescent activated cell sorting. The day before the compound treatment, cells were plated (750 cells/well) in a final volume of 30 L/well of Dulbecco's modified Eagle's medium (DMEM) supplemented with 10% (v/v) fetal bovine serum using a Thermo Combi. Plates were spun for 45 s at 500 rpm and incubated overnight (~24 h) at 37 degrees C, 5% CO2.

On the day of the screening, 33 nL of each compound was transferred to assay wells via a custom pin-transfer workstation. Additionally, 33 nL of positive (Velcade 300 M) and negative (DMSO 100%) controls were transferred to each plate into the corresponding columns that did not contain experimental compounds. For every compound library plate, there were two daughter plates (A and B). Plates were stacked 5 high, covered with lids, and incubated at 37 degrees C for 24h and 48h.

Assay plates were read using an Acumen Laser Scanning Cytometer 24h and 48h after compound treatment, using the following settings: For SGFP2 (channel 2), the 488 nm laser was used, with 6 mW output, 600 voltage gain and sensitivity threshold at 1; and for mRuby (channel 3), the 561 nm laser was used, with 8 mW output, 600 voltage gain and sensitivity threshold at 1.

Comment: Total nuclei and %p53 positive was calculated for all wells at 24 and 48h using the Cellista software. Percentage of p53 positive cells values were normalized to the positive and negative controls to determine a normalized percent of p53 activation. This was done on a per plate basis. The proteasome inhibitor Velcade (Adipogen, AG-CR1-3602-M005) at 330 nM was used as positive control while only the vehicle (DMSO, Sigma, D8418, 0.1% final concentration) was used as negative control. From these values the following normalized values were calculated (for both 24h and 48h): Normalized total nuclei = (total nuclei in experimental well / plate average negative control total nuclei) * 100. Normalized %p53 positive = (%p53 positive in experimental well - plate average negative control %p53 positive cells) / (plate average positive control %p53 positive cells - plate average negative control %p53 positive cells) * 100.

Based on the normalized percent p53 positive values, a compound was considered active when replicate average normalized % p53 positive cells > 50% for either or both time points. Activity scores were based on the replicate average normalized %p53 positive cells at 24hr. Values less than 0 were set to 0, and values > 100 were set to 100 (100% activity). Compounds with an activity score > 50 were considered active; some compounds were scored active despite having an activity score < 50 since % p53 positive cells was > 50% only at 48hr.

The average normalized total nuclei values were categorized as:
Very Low: x < 25%
Low: 25% < X > 50%
Medium: 50% < X > 75%
High: x < 75%

The average normalized % of p53 positive cells values were categorized as:
Low: x < 25%
Medium: 25% < X > 50%
Strong: 50% < X > 75%
Very Strong: x < 75%

Compounds that scored as strong or very strong in this classification (at either time point) were selected for follow up.

TotalNuclei_24h_A	%Pos_24h_A	TotalNuclei_24h_B	%Pos_24h_B	TotalNuclei_48h_A	%Pos_48h_A	TotalNuclei_48h_B	%Pos_48h_B	TotalNuclei_Norm_A_24h	%Pos_Norm_A_24h	TotalNuclei_Norm_B_24h	%Pos_Norm_B_24h	TotalNuclei_Norm_A_48h	%Pos_Norm_A_48h	TotalNuclei_Norm_B_48h	%Pos_Norm_B_48h	Avg_TotalNuclei_Norm_24h	Avg_%Pos_Norm_24h	Avg_TotalNuclei_Norm_48h	Avg_%Pos_Norm_48h	Viability 24h	Viability 48h	Hit 24h	Hit 48h	Molar Concentration
1208	0.166	1233	0.324	1534	0.0652	1567	0.128	107.5241301	0.014207932	114.2526206	0.301056209	111.5408212	-0.200936304	115.8595194	-0.078440722	110.8883753	0.15763207	113.7001703	-0.139688513	High	High	Low	Low	123 uM
1278	0.0782	1173	0.341	1644	0.304	1525	0.262	113.754833	-0.105094533	108.6928824	0.324276435	119.5391852	0.073652809	112.754159	0.076453966	111.2238577	0.109590951	116.1466721	0.075053388	High	High	Low	Low	41 uM
1191	0.336	1251	0.24	1484	0.135	1553	0.258	106.0109594	0.245203592	115.9205421	0.186320973	107.9052012	-0.120675332	114.8243993	0.071830244	110.9657507	0.215762282	111.3648002	-0.024422544	High	High	Low	Low	13.7 uM
1235	0.081	1129	0	1539	0.065	1463	0.273	109.9274012	-0.101289898	104.615741	-0.141493985	111.9043832	-0.201166278	108.1700555	0.089169202	107.2715711	-0.121391942	110.0372193	-0.055998538	High	High	Low	Low	4.6 uM
1274	0.0785	1127	0.177	1643	0.365	1410	0.213	113.3987928	-0.104686893	104.4304164	0.100269547	119.4664728	0.143794919	104.2513863	0.019813371	108.9146046	-0.002208673	111.8589295	0.081804145	High	High	Low	Low	1.5 uM
1212	0	1184	0	1575	0	1383	0.0723	107.8801702	-0.211352536	109.7121677	-0.141493985	114.5220296	-0.27590787	102.2550832	-0.142826051	108.796169	-0.176423261	108.3885564	-0.209366961	High	High	Low	Low	500 nM
1232	0	1268	0	1361	0.0735	1411	0.142	109.6603711	-0.211352536	117.4958012	-0.141493985	98.96157604	-0.191392377	104.3253235	-0.062257695	113.5780861	-0.176423261	101.6434498	-0.126825036	High	High	Low	Low	10 mM
1145	0.0873	1164	0.258	1473	0.0679	1479	0.203	101.9164975	-0.092729471	107.8589216	0.210907095	107.1053648	-0.197831653	109.3530499	0.008254066	104.8877095	0.059088812	108.2292074	-0.094788793	High	High	Low	Low	3.333 mM
1374	0.291	1147	0.0872	1603	0.374	1447	0.0691	122.2997969	0.184057682	106.2836625	-0.022387884	116.5579768	0.154143755	106.987061	-0.146525029	114.2917297	0.080834899	111.7725189	0.003809363	High	High	Low	Low	1.111 mM
1208	0.166	1215	0	1445	0.138	1552	0.0644	107.5241301	0.014207932	112.5846991	-0.141493985	105.0694176	-0.11722572	114.7504621	-0.151957902	110.0544146	-0.063643027	109.9099399	-0.134591811	High	High	Low	Low	370 uM
1127	0.177	1208	0.248	1448	0.207	1355	0.221	100.3143167	0.02915471	111.936063	0.197248139	105.2875548	-0.037884645	100.1848429	0.029060815	106.1251899	0.113201424	102.7361989	-0.004411915	High	High	Low	Low	123 uM
1264	0.0791	1133	0.0883	1421	0.493	1365	0.147	112.5086924	-0.103871615	104.9863902	-0.020885398	103.32432	0.290978363	100.9242144	-0.056478042	108.7475413	-0.062378506	102.1242672	0.11725016	High	High	Low	Low	41 uM
1316	0.076	1210	0	1570	0.318	1472	0.204	117.1372145	-0.108083888	112.1213876	-0.141493985	114.1584676	0.089750998	108.8354898	0.009409997	114.6293011	-0.124788937	111.4969787	0.049580497	High	High	Low	Low	13.7 uM
1347	0.148	1270	0.0787	1558	0.257	1546	0.259	119.8965258	-0.010250432	117.6811258	-0.033997997	113.2859188	0.019608888	114.3068392	0.072986175	118.7888258	-0.022124215	113.796379	0.046297531	High	High	Low	Low	4.6 uM
1211	0.165	1181	0.339	1480	0.27	1451	0.276	107.7911602	0.012849134	109.4341808	0.321544644	107.6143516	0.034557207	107.2828096	0.092636994	108.6126705	0.167196889	107.4485806	0.0635971	High	High	Low	Low	1.5 uM
1192	0.0839	1269	0.0788	1480	0.27	1536	0.13	106.0999694	-0.097349384	117.5884635	-0.033861407	107.6143516	0.034557207	113.5674677	-0.076128861	111.8442165	-0.065605396	110.5909096	-0.020785827	High	High	Low	Low	500 nM
1241	0	1168	0.171	1489	0.269	1469	0.136	110.4614614	-0.211352536	108.2295709	0.092074173	108.2687632	0.033407336	108.6136784	-0.069193278	109.3455161	-0.059639182	108.4412208	-0.017892971	High	High	Low	Low	10 mM
1139	0.0878	1049	0	1346	0.297	1327	0.226	101.3824372	-0.092050072	97.2027567	-0.141493985	97.87089005	0.065603714	98.11460259	0.034840468	99.29259695	-0.116772029	97.99274632	0.050222091	High	High	Low	Low	3.333 mM
1189	0.0841	1149	0.087	1470	0.34	1403	0.214	105.8329393	-0.097077625	106.4689871	-0.022661063	106.8872276	0.115048152	103.7338262	0.020969302	106.1509632	-0.059869344	105.3105269	0.068008727	High	High	Low	Low	1.111 mM
1239	0	1133	0.265	1476	0.203	1391	0.431	110.2834414	-0.211352536	104.9863902	0.220468365	107.323502	-0.042484127	102.8465804	0.271806223	107.6349158	0.004557914	105.0850412	0.114661048	High	High	Low	Low	370 uM

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

来源：ChEMBL 靶标：Polyphenol oxidase 4

External ID: CHEMBL4035963

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 14
First Page: 3706
Last Page: 3713
DOI: 10.1016/j.bmc.2017.05.009

Target ChEMBL ID: CHEMBL6066154
ChEMBL Target Name: Mushroom tyrosinase
ChEMBL Target Type: PROTEIN FAMILY - Target is a group of closely related proteins
Relationship Type: D - Direct protein target assigned
Confidence: Multiple direct protein targets may be assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	2	%
Inhibition	=	10	%
Inhibition	=	9	%
Inhibition	=	11	%
Inhibition	=	12	%
Inhibition	=	1	%
Inhibition	=	5	%
Inhibition	=	16	%
Inhibition	=	2	%
Inhibition	=	16	%
Inhibition	=	10	%
Inhibition	=	14	%
Inhibition	=	15	%
Inhibition	=	2	%
Inhibition	=	14	%
Inhibition	=	11	%
Inhibition	=	2	%
Inhibition	=	5	%
Inhibition	=	3	%
Inhibition	=	8	%

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

来源：ChEMBL 靶标：Death-associated protein kinase 1

External ID: CHEMBL3620066

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: 2015
Volume: 58
Issue: 18
First Page: 7400
Last Page: 7408
DOI: 10.1021/acs.jmedchem.5b00893

Target ChEMBL ID: CHEMBL2558
ChEMBL Target Name: Death-associated protein kinase 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	Activity Comment	Data Validity Comment
8.9	IC50	=	8900	nM
280	IC50	=	280000	nM		Outside typical range
300	IC50	>	300000	nM		Outside typical range
1.6	IC50	=	1600	nM
	IC50				Not Determined
10	IC50	=	10000	nM
21	IC50	=	21000	nM
300	IC50	>	300000	nM		Outside typical range
23	IC50	=	23000	nM
	IC50				Not Determined
87	IC50	=	87000	nM
150	IC50	=	150000	nM		Outside typical range
300	IC50	>	300000	nM		Outside typical range
220	IC50	=	220000	nM		Outside typical range

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

来源：24642 靶标：ubiquitin specific peptidase 28

External ID: USP28 FAST DUB HTS Primary

Protocol: Deubiquitinases were purified from E. Coli. Ub-Rho substrate was purchased from Boston BioChem (Cat #: U-555). Assay buffer consisted of 50 mM Tris pH 8, 50 mM NaCl, 0.002% Tween20, 5 mM DTT in MilliQ water. Stop buffer consisted of assay buffer + 0.2% trifluoroacetic acid.

Protocol for Inhibitors of USP28: Primary Screen
1. Compound, 25 nL of screening compounds (final concentration of 25 uM) to columns 1-46 of a Greiner 1536 well Black, flat bottom, polystyrene microplate (Griener 782076) (columns 45-46: DMSO control)
2. Reagent, 2.5 uL of assay buffer to columns 47-48 on all plates (No enzyme control)
3. Reagent, 2.5 uL of USP28 in assay buffer (final concentration of 0.5 nM) to columns 1-46
4. Reagent, 2.5 uL of Ub-Rho in assay buffer (final concentration of 12 nM) to all wells
5. Time, Incubate at room temperature for 30 minutes
6. Reagent, 2.5 uL of stop buffer to all wells
7. Centrifuge plates (5s, 350 rpm)
8. Detection, Fluorescence, PheraStar, FITC Module

Comment: Normalization of raw data to positive and negative control wells were applied to the data using Helios, a high-throughput screening data analysis program developed at Novartis.(Gubler et al., 2018)

Compounds demonstrating greater than or equal to 30% inhibition of USP28 (USP28_EFFICACY >/= 30) were called as active, compounds demonstrating activity below this threshold were called as inactive.

USP28-Efficacy
0.858
-79.548
-6.397
12.687
1.953
1.774
6.852
4.69
11.944
-0.62
6.642
-4.813
10.139
-3.985
6.898
5.589
87.267
-2.429
-1.878
1.221

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

来源：ChEMBL 靶标：MCF7

External ID: CHEMBL4035952

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 14
First Page: 3706
Last Page: 3713
DOI: 10.1016/j.bmc.2017.05.009

Target ChEMBL ID: CHEMBL387
ChEMBL Target Name: MCF7
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	6	%
GI	=	21	%
GI	=	0	%
GI	=	11	%
GI	=	0	%
GI	=	10	%
GI	=	26	%
GI	=	0	%
GI	=	0	%
GI	=	2	%
GI	=	2	%
GI	=	0	%
GI	=	17	%
GI	=	3	%
GI	=	16	%
GI	=	1	%
GI	=	27	%
GI	=	86	%
GI	=	73	%
GI	=	15	%

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

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL1074833

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2010
Volume: 20
Issue: 3
First Page: 1162
Last Page: 1164
DOI: 10.1016/j.bmcl.2009.12.021

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
18.1	IC50	=	18100	nM
500	IC50	>	500000	nM	Outside typical range
500	IC50	>	500000	nM	Outside typical range
65.1	IC50	=	65100	nM

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

来源：ChEMBL 靶标：Macrophage migration inhibitory factor

External ID: CHEMBL711481

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: 2001
Volume: 44
Issue: 4
First Page: 540
Last Page: 547
DOI: 10.1021/jm000386o

Target ChEMBL ID: CHEMBL2085
ChEMBL Target Name: Macrophage migration inhibitory factor
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
0.55	Ki	=	550	nM
2.9	Ki	=	2900	nM
0.28	Ki	=	280	nM
5.8	Ki	=	5800	nM
3.1	Ki	=	3100	nM
0.47	Ki	=	470	nM

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

来源：24642 靶标：ubiquitin specific peptidase 10

External ID: USP10 FAST DUB HTS Primary

Protocol: Deubiquitinases were purified from E. Coli. Ub-Rho substrate was purchased from Boston BioChem (Cat #: U-555). Assay buffer consisted of 50 mM Tris pH 8, 50 mM NaCl, 0.002% Tween20, 5 mM DTT in MilliQ water. Stop buffer consisted of assay buffer + 0.2% trifluoroacetic acid.

Protocol for Inhibitors of USP10: Primary Screen
1. Compound, 20 nL of screening compounds (final concentration of 20 uM) to columns 1-46 of a Greiner 1536 well Black, flat bottom, polystyrene microplate (Griener 782076) (columns 45-46: DMSO control)
2. Reagent, 2.5 uL of assay buffer to columns 47-48 on all plates (No enzyme control)
3. Reagent, 2.5 uL of USP10 in assay buffer (final concentration of 15 nM) to columns 1-46
4. Reagent, 2.5 uL of Ub-Rho in assay buffer (final concentration of 15 nM) to all wells
5. Time, Incubate at room temperature for 60 minutes
6. Detection, Fluorescence, PheraStar, FITC Module

Comment: Normalization of raw data to positive and negative control wells were applied to the data using Helios, a high-throughput screening data analysis program developed at Novartis.(Gubler et al., 2018)

Compounds demonstrating greater than or equal to 30% inhibition of USP10 (USP10_EFFICACY >/= 30) were called as active, compounds demonstrating activity below this threshold were called as inactive.

USP10-Efficacy
3.101
1.907
-3.869
-7.539
0.549
-1.651
0.901
0.0502
0.956
15.834
-0.00175
-4.55
-1.07
1.85
2.992
9.647
0.745
-1.799
3.055
-0.917

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

来源：ChEMBL 靶标：SW480

External ID: CHEMBL4035953

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 14
First Page: 3706
Last Page: 3713
DOI: 10.1016/j.bmc.2017.05.009

Target ChEMBL ID: CHEMBL612544
ChEMBL Target Name: SW480
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	21	%
GI	=	28	%
GI	=	43	%
GI	=	22	%
GI	=	16	%
GI	=	7	%
GI	=	25	%
GI	=	24	%
GI	=	19	%
GI	=	12	%
GI	=	4	%
GI	=	31	%
GI	=	34	%
GI	=	13	%
GI	=	20	%
GI	=	13	%
GI	=	9	%
GI	=	81	%
GI	=	58	%
GI	=	18	%

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

来源：24642 靶标：ubiquitin C-terminal hydrolase L1

External ID: UCHL1 FAST DUB HTS Primary

Protocol: Deubiquitinases were purified from E. Coli. Ub-Rho substrate was purchased from Boston BioChem (Cat #: U-555). Assay buffer consisted of 50 mM Tris pH 8, 50 mM NaCl, 0.002% Tween20, 5 mM DTT in MilliQ water. Stop buffer consisted of assay buffer + 0.2% trifluoroacetic acid.

Protocol for Inhibitors of UCHL1: Primary Screen
1. Reagent, 2.5 uL of UCHL1 in assay buffer (final concentration of 1 nM) to columns 1-46 of a Greiner 1536 well Black, flat bottom, polystyrene microplate (Griener 782076)
2. Compound, 20 nL of screening compounds (final concentration of 20 uM) to columns 1-46 (columns 45-46: DMSO control)
3. Reagent, 2.5 uL of assay buffer to columns 47-48 on all plates (No enzyme control)
4. Time, Incubate at room temperature for 60 minutes
5. Reagent, 2.5 uL of Ub-Rho in assay buffer (final concentration of 7 nM) to all wells
6. Time, Incubate at room temperature for 10 minutes
7. Detection, Fluorescence, PheraStar, FITC Module

Comment: Normalization of raw data to positive and negative control wells were applied to the data using Helios, a high-throughput screening data analysis program developed at Novartis.(Gubler et al., 2018)

Compounds demonstrating greater than or equal to 30% inhibition of UCHL1 (UCHL1_EFFICACY >/= 30) were called as active, compounds demonstrating activity below this threshold were called as inactive.

UCHL1-Efficacy
-6.982
0.0218
-4.751
4.329
-3.437
4.201
2.693
2.036
0.352
0.0185
-3.604
0.268
9.86
0.843
3.782
-17.728
4.105
11.718
6.238
-0.64

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

来源：ChEMBL 靶标：Tyrosinase

External ID: CHEMBL1074831

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: 2010
Volume: 20
Issue: 3
First Page: 1162
Last Page: 1164
DOI: 10.1016/j.bmcl.2009.12.021

Target ChEMBL ID: CHEMBL5346
ChEMBL Target Name: Tyrosinase
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
11.21	IC50	=	11210	nM
30.26	IC50	=	30260	nM
500	IC50	>	500000	nM	Outside typical range
500	IC50	>	500000	nM	Outside typical range

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

来源：24642 靶标：OTU deubiquitinase 3

External ID: OTUD3 FAST DUB HTS Primary

Protocol: Deubiquitinases were purified from E. Coli. Ub-Rho substrate was purchased from Boston BioChem (Cat #: U-555). Assay buffer consisted of 50 mM Tris pH 8, 50 mM NaCl, 0.002% Tween20, 5 mM DTT in MilliQ water. Stop buffer consisted of assay buffer + 0.2% trifluoroacetic acid.

Protocol for Inhibitors of OTUD3: Primary Screen
1. Compound, 25 nL of screening compounds (final concentration of 25 uM) to columns 1-46 of a Greiner 1536 well Black, flat bottom, polystyrene microplate (Griener 782076) (columns 45-46: DMSO control)
2. Reagent, 2.5 uL of assay buffer to columns 47-48 on all plates (No enzyme control)
3. Reagent, 2.5 uL of OTUD3 in assay buffer (final concentration of 12 nM) to columns 1-46
4. Reagent, 2.5 uL of Ub-Rho in assay buffer (final concentration of 40 nM) to all wells
5. Time, Incubate at room temperature for 2 hours
6. Reagent, 2.5 uL of stop buffer to all wells
7. Centrifuge plates (5s, 350 rpm)
8. Detection, Fluorescence, PheraStar, FITC Module

Comment: Normalization of raw data to positive and negative control wells were applied to the data using Helios, a high-throughput screening data analysis program developed at Novartis.(Gubler et al., 2018)

Compounds demonstrating greater than or equal to 30% inhibition of OTUD3 (OTUD3_EFFICACY >/= 30) were called as active, compounds demonstrating activity below this threshold were called as inactive.

OTUD3-Efficacy
-7.265
7.071
-1.861
-3.016
-10.763
10.254
-10.529
4.602
-4.313
-5.645
0.343
8.993
-2.623
-1.623
-18.682
11.86
40.974
6.117
17.524
-56.479

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

来源：ChEMBL 靶标：Melan-a

External ID: CHEMBL1074832

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: 2010
Volume: 20
Issue: 3
First Page: 1162
Last Page: 1164
DOI: 10.1016/j.bmcl.2009.12.021

Target ChEMBL ID: CHEMBL4296474
ChEMBL Target Name: Melan-a
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
12.23	IC50	=	12230	nM
98.05	IC50	=	98050	nM
500	IC50	>	500000	nM	Outside typical range
500	IC50	>	500000	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：Helicobacter pylori

External ID: CHEMBL695724

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1999
Volume: 9
Issue: 8
First Page: 1109
Last Page: 1112
DOI: 10.1016/s0960-894x(99)00141-9

Target ChEMBL ID: CHEMBL612600
ChEMBL Target Name: Helicobacter pylori
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
MIC	>	20	ug.mL-1
MIC	>	20	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	>	20	ug.mL-1
MIC	>	20	ug.mL-1
MIC	>	20	ug.mL-1
MIC	>	20	ug.mL-1
MIC	>	20	ug.mL-1

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

来源：24642 靶标：ubiquitin specific peptidase 30

External ID: USP30 FAST DUB HTS Primary

Protocol: Deubiquitinases were purified from E. Coli. Ub-Rho substrate was purchased from Boston BioChem (Cat #: U-555). Assay buffer consisted of 50 mM Tris pH 8, 50 mM NaCl, 0.002% Tween20, 5 mM DTT in MilliQ water. Stop buffer consisted of assay buffer + 0.2% trifluoroacetic acid.

Protocol for Inhibitors of USP30: Primary Screen
1. Compound, 25 nL of screening compounds (final concentration of 25 uM) to columns 1-46 of a Greiner 1536 well Black, flat bottom, polystyrene microplate (Griener 782076) (columns 45-46: DMSO control)
2. Reagent, 2.5 uL of assay buffer to columns 47-48 on all plates (No enzyme control)
3. Reagent, 2.5 uL of USP30 in assay buffer (final concentration of 1 nM) to columns 1-46
4. Reagent, 2.5 uL of Ub-Rho in assay buffer (final concentration of 12 nM) to all wells
5. Time, Incubate at room temperature for 2 hours
6. Reagent, 2.5 uL of stop buffer to all wells
7. Centrifuge plates (5s, 350 rpm)
8. Detection, Fluorescence, PheraStar, FITC Module

Comment: Normalization of raw data to positive and negative control wells were applied to the data using Helios, a high-throughput screening data analysis program developed at Novartis.(Gubler et al., 2018)

Compounds demonstrating greater than or equal to 30% inhibition of USP30 (USP30_EFFICACY >/= 30) were called as active, compounds demonstrating activity below this threshold were called as inactive.

USP30-Efficacy
34.821
21.39
49.071
-39.208
23.815
-0.611
-9.086
-8.452
-5.803
-4.031
-6.381
-5.714
0
-29.453
16.548
14.427
0.972
-91.869
18.058
78.672

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	29	%
GI	=	28	%
GI	=	3	%
GI	=	18	%
GI	=	0	%
GI	=	14	%
GI	=	22	%
GI	=	6	%
GI	=	21	%
GI	=	2	%
GI	=	0	%
GI	=	5	%
GI	=	6	%
GI	=	40	%
GI	=	39	%
GI	=	0	%
GI	=	13	%
GI	=	24	%
GI	=	7	%
GI	=	0	%

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	6	%
GI	=	21	%
GI	=	0	%
GI	=	11	%
GI	=	0	%
GI	=	10	%
GI	=	26	%
GI	=	0	%
GI	=	0	%
GI	=	2	%
GI	=	2	%
GI	=	0	%
GI	=	17	%
GI	=	3	%
GI	=	16	%
GI	=	1	%
GI	=	27	%
GI	=	86	%
GI	=	73	%
GI	=	15	%

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	21	%
GI	=	28	%
GI	=	43	%
GI	=	22	%
GI	=	16	%
GI	=	7	%
GI	=	25	%
GI	=	24	%
GI	=	19	%
GI	=	12	%
GI	=	4	%
GI	=	31	%
GI	=	34	%
GI	=	13	%
GI	=	20	%
GI	=	13	%
GI	=	9	%
GI	=	81	%
GI	=	58	%
GI	=	18	%

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	29	%
GI	=	28	%
GI	=	3	%
GI	=	18	%
GI	=	0	%
GI	=	14	%
GI	=	22	%
GI	=	6	%
GI	=	21	%
GI	=	2	%
GI	=	0	%
GI	=	5	%
GI	=	6	%
GI	=	40	%
GI	=	39	%
GI	=	0	%
GI	=	13	%
GI	=	24	%
GI	=	7	%
GI	=	0	%

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	6	%
GI	=	21	%
GI	=	0	%
GI	=	11	%
GI	=	0	%
GI	=	10	%
GI	=	26	%
GI	=	0	%
GI	=	0	%
GI	=	2	%
GI	=	2	%
GI	=	0	%
GI	=	17	%
GI	=	3	%
GI	=	16	%
GI	=	1	%
GI	=	27	%
GI	=	86	%
GI	=	73	%
GI	=	15	%

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	21	%
GI	=	28	%
GI	=	43	%
GI	=	22	%
GI	=	16	%
GI	=	7	%
GI	=	25	%
GI	=	24	%
GI	=	19	%
GI	=	12	%
GI	=	4	%
GI	=	31	%
GI	=	34	%
GI	=	13	%
GI	=	20	%
GI	=	13	%
GI	=	9	%
GI	=	81	%
GI	=	58	%
GI	=	18	%

485-63-2 靶点实验数据

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	29	%
GI	=	28	%
GI	=	3	%
GI	=	18	%
GI	=	0	%
GI	=	14	%
GI	=	22	%
GI	=	6	%
GI	=	21	%
GI	=	2	%
GI	=	0	%
GI	=	5	%
GI	=	6	%
GI	=	40	%
GI	=	39	%
GI	=	0	%
GI	=	13	%
GI	=	24	%
GI	=	7	%
GI	=	0	%

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	6	%
GI	=	21	%
GI	=	0	%
GI	=	11	%
GI	=	0	%
GI	=	10	%
GI	=	26	%
GI	=	0	%
GI	=	0	%
GI	=	2	%
GI	=	2	%
GI	=	0	%
GI	=	17	%
GI	=	3	%
GI	=	16	%
GI	=	1	%
GI	=	27	%
GI	=	86	%
GI	=	73	%
GI	=	15	%

Standard Type	Standard Relation	Standard Value	Standard Units
GI	=	21	%
GI	=	28	%
GI	=	43	%
GI	=	22	%
GI	=	16	%
GI	=	7	%
GI	=	25	%
GI	=	24	%
GI	=	19	%
GI	=	12	%
GI	=	4	%
GI	=	31	%
GI	=	34	%
GI	=	13	%
GI	=	20	%
GI	=	13	%
GI	=	9	%
GI	=	81	%
GI	=	58	%
GI	=	18	%