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

来源：ChEMBL 靶标：Sodium channel protein type 3 subunit alpha

External ID: CHEMBL806152

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: 1985
Volume: 28
Issue: 3
First Page: 381
Last Page: 388
DOI: 10.1021/jm00381a019

Target ChEMBL ID: CHEMBL2096682
ChEMBL Target Name: Sodium channel alpha subunits; brain (Types I, II, III)
ChEMBL Target Type: PROTEIN FAMILY - Target is a group of closely related proteins
Relationship Type: H - Homologous protein target assigned
Confidence: Multiple homologous protein targets may be assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
117	IC50	=	117000	nM	Outside typical range
10	IC50	<	10000	nM
45	IC50	=	45000	nM
5	IC50	=	5000	nM
10	IC50	<	10000	nM
3.3	IC50	=	3300	nM
1.2	IC50	=	1200	nM
3.6	IC50	=	3600	nM
0.6	IC50	=	600	nM
6.5	IC50	=	6500	nM
2.4	IC50	=	2400	nM
240	IC50	=	240000	nM	Outside typical range
3.5	IC50	=	3500	nM
1.8	IC50	=	1800	nM
10	IC50	=	10000	nM
10	IC50	=	10000	nM
1	IC50	=	1000	nM
33	IC50	=	33000	nM
5.4	IC50	=	5400	nM
660	IC50	=	660000	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: CHEMBL3101695

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: 2014
Volume: 22
Issue: 1
First Page: 95
Last Page: 104
DOI: 10.1016/j.bmc.2013.11.049

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
	logIC50	=	0.08
	logIC50	=	-0.22
	logIC50	=	1.68
	logIC50	=	0.54
	logIC50	=	2.04
	logIC50	=	2.86
0.34	IC50	=	340	nM
0.252	IC50	=	252	nM
	logIC50	=	0.15
	logIC50	=	0.53
	logIC50	=	0.57
	logIC50	=	1.65
	logIC50	=	2.21
	logIC50	=	0.95
	logIC50	=	0.7
	logIC50	=	2.4
	logIC50	=	2.4
	logIC50	=	2.45
	logIC50	=	1.59
	logIC50	=	-0.56

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

来源：ChEMBL 靶标：Histone deacetylase 6

External ID: CHEMBL4808149

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1865
ChEMBL Target Name: Histone deacetylase 6
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: Fraunhofer Institute HDAC6 screening

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
Inhibition	=	-13.63	%	Outside typical range
Inhibition	=	-37.85	%	Outside typical range
Inhibition	=	-31.68	%	Outside typical range
Inhibition	=	-40.84	%	Outside typical range
Inhibition	=	-33.51	%	Outside typical range
Inhibition	=	-11.71	%	Outside typical range
Inhibition	=	-12.48	%	Outside typical range
Inhibition	=	8.75	%
Inhibition	=	-57.22	%	Outside typical range
Inhibition	=	-43.91	%	Outside typical range
Inhibition	=	-42.06	%	Outside typical range
Inhibition	=	25.26	%
Inhibition	=	31.78	%
Inhibition	=	-63.83	%	Outside typical range
Inhibition	=	1.14	%
Inhibition	=	-17.63	%	Outside typical range
Inhibition	=	14.49	%
Inhibition	=	3.28	%
Inhibition	=	10.08	%
Inhibition	=	13.93	%

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

来源：ChEMBL 靶标：Histone deacetylase 6

External ID: CHEMBL4808150

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1865
ChEMBL Target Name: Histone deacetylase 6
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: Fraunhofer Institute HDAC6 screening

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	-7.39	%
Inhibition	=	-3.08	%
Inhibition	=	97.8	%
Inhibition	=	-9.09	%
Inhibition	=	47.05	%
Inhibition	=	-5.94	%
Inhibition	=	-0.48	%
Inhibition	=	-2.98	%
Inhibition	=	1.42	%
Inhibition	=	12.25	%
Inhibition	=	-2.13	%
Inhibition	=	-4.43	%
Inhibition	=	4.53	%
Inhibition	=	-5.82	%
Inhibition	=	10.36	%
Inhibition	=	-1.3	%
Inhibition	=	12.9	%
Inhibition	=	-3.37	%
Inhibition	=	3.17	%
Inhibition	=	-0.97	%

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

来源：ChEMBL 靶标：Sodium channel protein type 3 subunit alpha

External ID: CHEMBL806153

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1985
Volume: 28
Issue: 3
First Page: 381
Last Page: 388
DOI: 10.1021/jm00381a019

Target ChEMBL ID: CHEMBL2096682
ChEMBL Target Name: Sodium channel alpha subunits; brain (Types I, II, III)
ChEMBL Target Type: PROTEIN FAMILY - Target is a group of closely related proteins
Relationship Type: H - Homologous protein target assigned
Confidence: Multiple homologous protein targets may be assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	58.6	%
Inhibition	=	3.3	%
Inhibition	=	57.4	%
Inhibition	=	72.7	%
Inhibition	=	6.9	%
Inhibition	=	15.2	%
Inhibition	=	14	%
Inhibition	=	30.1	%
Inhibition	=	18.5	%
Inhibition	=	76.6	%
Inhibition	=	36.2	%
Inhibition	=	79.8	%
Inhibition	=	8.4	%
Inhibition	=	0	%
Inhibition	=	5.4	%
Inhibition	=	69.4	%
Inhibition	=	4.4	%
Inhibition	=	1.2	%
Inhibition	=	73.3	%
Inhibition	=	4.4	%

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：NCGC 靶标：Luciferase [Photinus pyralis]

External ID: adst-fluc-km-fda-o1_regid

Protocol: Three microliters/well of substrate- buffer solution (0.01 mM D-Luciferin, 0.01 mM ATP, 50 mM Tris Acetate, 10 mM Mg Acetate, 0.01% Tween-20 and 0.038% BSA final concentrations) were dispensed into white solid-bottom 1536 well plates. Compounds were transferred to the plates in 23nl, and one microliter/well luciferase enzyme-buffer solution (10 nM P. pyralis luciferase and 50 mM Tris Acetate final concentrations) was dispensed yielding a final reaction volume of 4 ul/well. Luciferase luminescence was measured by a ViewLux plate reader within 5 minutes of enzyme-buffer addition. The % activity was determined by normalizing to the average readings of PTC124 (a positive control) relative to DMSO (0% Activity). The concentration-effect curves were then classified based on curve quality (r2), response magnitude and degree of measured activity.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at 0.00164 uM	Activity at 0.00764 uM	Activity at 0.041 uM	Activity at 0.204 uM	Activity at 1.020 uM	Activity at 5.200 uM	Activity at 24.87 uM	Activity at 58.59 uM	Compound QC
Inactive			0		-4.4922	0.3	0.5173	4	-4.6064	4	0 0 0 0 0 0 0 0	1.8042	-4.672	-4.1025	-1.8343	-3.7369	-2.9082	-0.0276	-3.2728	1.8042	QC'd by "SIGMA"
Inactive			0		-4.6922	4.045	0.3458	-8.5893	-0.5	4	0 0 0 0 0 0 0 1	-0.1897	-6.0169	-0.164	0.0158	3.9661	-1.6519	-0.5167	-6.3245	-0.1897	QC'd by "SigmaAldrich"
Inactive			0		-5.3922	4.9549	0.3662	-3.0977	2.5	4	0 0 0 0 0 0 0 1	5.4199	-1.7453	7.3603	0.462	0.523	4.8263	-1.6338	-2.9981	5.4199	QC'd by "SigmaAldrich"
Inhibitor	25.5748	105.3009	40	Partial curve; partial efficacy	-4.5922	1.1705	0.9883	-104.9617	0.3392	-2.2	0 0 0 0 0 0 0 0	-79.5165	-3.7998	1.6445	0.1696	0.2515	2.0913	-17.2656	-49.2902	-79.5165	QC'd by "SigmaAldrich"
Inactive			0		-8.7422	4.4495	0.6878	0	-6.0861	4	0 0 0 0 0 0 0 0	0.6926	-3.8217	1.1634	1.2592	-1.3109	0.3214	-1.0557	-0.3648	0.6926	QC'd by "Chembridge"
Inactive			0		-4.8922	4.9549	0.392	-0.6774	-5.296	4	0 0 0 0 0 0 0 0	-0.8427	-4.0002	-6.8367	-9.83	-2.0415	-1.9351	-6.6372	-0.5645	-0.8427	QC'd by "SigmaAldrich"
Inactive			0							4		-1.0545	-8.3192	6.6299	-1.3001	-1.3674	0.8591	-0.8748	-5.7235	-1.0545	QC'd by "SigmaAldrich"
Inactive			0		-7.0422	0.8	0.711	-0.5	-4.8961	4	0 0 0 0 0 0 0 0	0.0168	-4.0026	-5.3301	-2.4655	-2.9906	0.3651	-2.418	0.1176	0.0168	QC'd by "SigmaAldrich"
Inactive			0		-7.1922	1.4163	0.8466	-0.5	-6.1186	4	0 0 0 0 0 0 0 0	0.8131	-6.3489	-5.3075	-4.1734	-1.7501	1.2452	-2.0927	-0.9638	0.8131	QC'd by "SigmaAldrich"
Inactive			0		-4.4922	4.095	0.7889	-0.6645	-5.3293	4	0 0 0 0 0 0 0 0	-0.9704	-3.9692	-5.7573	-4.8944	-5.7829	-4.2413	-6.1078	-3.7926	-0.9704	QC'd by "SigmaAldrich"
Inactive			0		-4.9922	1.6436	0.9036	-14.2722	1.5	4	0 1 0 0 0 0 0 1	-0.7907	2.649	76.5965	-1.4303	3.1826	0.1904	-2.1374	-11.4768	-0.7907	QC'd by "Bosche"
Inactive			0		-8.6922	4.9549	0.8931	0.5	-8.9826	4	0 0 0 0 0 0 0 0	1.1921	-6.6522	1.3694	0.6742	1.1788	0.5533	0.1933	-1.4165	1.1921	QC'd by "SIGMA"
Inactive			0		-4.5422	1.6436	0.921	-23.3075	1.5	4	0 0 0 0 0 0 0 0	-17.3396	-0.1929	5.8889	1.776	-1.4891	1.5517	0.2982	-9.8359	-17.3396	QC'd by "Bosche"
Inactive			0		-8.2922	2.4729	0.4328	1.5	-4.9037	4	0 0 0 0 0 0 0 0	1.6497	-4.5031	0.0017	0.9528	5.2306	-1.0585	3.9254	-2.2697	1.6497	QC'd by "BIOMOL"
Inactive			0		-5.2422	2.4064	0.7478	-1.9233	2	4	0 0 0 0 0 0 0 0	-0.7389	0.2328	1.8033	2.3121	3.1375	2.1338	0.241	-2.8528	-0.7389	QC'd by "SigmaAldrich"
Inactive			0		-7.7922	4.9549	0.6788	-3.3068	1	4	0 0 0 0 0 0 0 1	4.3181	0.7769	1.4337	-4.839	-0.5865	-4.7983	-2.6758	-3.1585	4.3181	QC'd by "SigmaAldrich"
Inactive			0							4		1.6759	1.4738	-1.4676	-2.8837	0.649	-1.8659	-1.6878	-2.3258	1.6759	QC'd by "Tocris"
Inactive			0							4		-0.4747	0.1407	-1.5018	2.6348	-4.5811	3.188	-1.3074	0.2134	-0.4747	QC'd by "SigmaAldrich"
Inactive			0		-8.0422	4.9549	0.4559	0.3114	4	4	0 0 0 0 0 0 0 0	0.5472	4.1564	2.6823	-3.0739	0.6832	2.7894	1.3999	-0.8902	0.5472	QC'd by "SigmaAldrich"
Inactive			0		-4.3922	4.9549	0.916	14	-3.373	4	0 0 0 0 0 0 0 0	13.8005	-4.4775	-3.8406	-1.7248	-1.4762	-1.9012	-4.2409	-4.0716	13.8005	QC'd by "SigmaAldrich"

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: CHEMBL4303805

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	Data Validity Comment
Inhibition	=	-11.52	%	Outside typical range
Inhibition	=	5.09	%
Inhibition	=	-1.71	%
Inhibition	=	3.69	%
Inhibition	=	22.47	%
Inhibition	=	8.51	%
Inhibition	=	-6.86	%
Inhibition	=	-6.18	%
Inhibition	=	-2.07	%
Inhibition	=	3.91	%
Inhibition	=	-5.9	%
Inhibition	=	-2.45	%
Inhibition	=	-5.55	%
Inhibition	=	6.31	%
Inhibition	=	-1.08	%
Inhibition	=	12.7	%
Inhibition	=	0.37	%
Inhibition	=	8.88	%
Inhibition	=	11.63	%
Inhibition	=	-1.96	%

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	%

101-93-9 靶点实验数据