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

来源：ChEMBL 靶标：Sodium- and chloride-dependent GABA transporter 1

External ID: CHEMBL4342201

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2019
Volume: 27
Issue: 13
First Page: 2753
Last Page: 2763
DOI: 10.1016/j.bmc.2019.05.001

Target ChEMBL ID: CHEMBL5445
ChEMBL Target Name: GABA transporter 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

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	57	%
Activity	=	48	%
Activity	=	79	%
Activity	=	79	%
Activity	=	79	%
Activity	=	87	%
Activity	=	65	%
Activity	=	81	%
Activity	=	59	%
Activity	=	59	%
Activity	=	85	%
Activity	=	79	%
Activity	=	59	%
Activity	=	20	%
Activity	=	59	%
Activity	=	36	%
Activity	=	65	%
Activity	=	65	%
Activity	=	79	%
Activity	=	55	%

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

来源：ChEMBL 靶标：Aldehyde oxidase 1

External ID: CHEMBL3051423

Protocol: N/A

Comment: Journal: J Agric Food Chem
Year: 2011
Volume: 59
Issue: 9
First Page: 4860
Last Page: 4867
DOI: 10.1021/jf200485k

Target ChEMBL ID: CHEMBL1641356
ChEMBL Target Name: Aldehyde oxidase
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	=	5	%
Inhibition	=	4	%
Inhibition	=	5	%
Inhibition	=	18	%
Inhibition	=	4	%
Inhibition	=	6	%
Inhibition	=	1	%
Inhibition	=	-2	%
Inhibition	=	8	%
Inhibition	=	6	%
Inhibition	=	3	%
Inhibition	=	3	%
Inhibition	=	5	%
Inhibition	=	-1	%
Inhibition	=	-2	%
Inhibition	=	2	%

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: CHEMBL3051424

Protocol: N/A

Comment: Journal: J Agric Food Chem
Year: 2011
Volume: 59
Issue: 9
First Page: 4860
Last Page: 4867
DOI: 10.1021/jf200485k

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	17	%
Inhibition	=	9	%
Inhibition	=	0	%
Inhibition	=	37	%
Inhibition	=	0	%
Inhibition	=	-7	%
Inhibition	=	3	%
Inhibition	=	3	%
Inhibition	=	29	%
Inhibition	=	0	%
Inhibition	=	0	%
Inhibition	=	0	%
Inhibition	=	6	%
Inhibition	=	6	%
Inhibition	=	4	%
Inhibition	=	7	%
Inhibition	=	17	%
Inhibition	=	31	%
Inhibition	=	1	%

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: CHEMBL3637358

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 105
First Page: 182
Last Page: 193
DOI: 10.1016/j.ejmech.2015.10.014

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
54	IC50	=	54000	nM
291	IC50	=	291000	nM		Outside typical range
13	IC50	=	13000	nM
	Inhibition			%	Dose-dependent effect
42	IC50	=	42000	nM
159	IC50	=	159000	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: CHEMBL3637357

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 105
First Page: 182
Last Page: 193
DOI: 10.1016/j.ejmech.2015.10.014

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	21	%
Inhibition	=	16	%
Inhibition	=	9	%
Inhibition	=	41	%
Inhibition	=	17	%
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：Quinolone resistance protein NorA

External ID: CHEMBL3240837

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2014
Volume: 57
Issue: 6
First Page: 2536
Last Page: 2548
DOI: 10.1021/jm401808n

Target ChEMBL ID: CHEMBL5114
ChEMBL Target Name: Quinolone resistance protein norA
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	=	32	ug ml-1
Activity	>	128	ug ml-1
Activity	>	128	ug ml-1
Activity	=	64	ug ml-1
Activity	>	128	ug ml-1
Activity	>	128	ug ml-1
Activity	>	128	ug ml-1
Activity	>	128	ug ml-1
Activity	=	2	ug ml-1
Activity	=	64	ug ml-1
Activity	=	32	ug ml-1
Activity	=	4	ug ml-1
Activity	>	128	ug ml-1
Activity	=	128	ug ml-1
Activity	>	128	ug ml-1
Activity	=	64	ug ml-1
Activity	=	4	ug ml-1
Activity	=	8	ug ml-1
Activity	=	128	ug ml-1
Activity	>	128	ug ml-1

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: CHEMBL3637356

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 105
First Page: 182
Last Page: 193
DOI: 10.1016/j.ejmech.2015.10.014

Standard Type	Standard Units	Activity Comment
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	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：Staphylococcus aureus

External ID: CHEMBL3240840

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2014
Volume: 57
Issue: 6
First Page: 2536
Last Page: 2548
DOI: 10.1021/jm401808n

Target ChEMBL ID: CHEMBL352
ChEMBL Target Name: Staphylococcus aureus
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	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1
MIC	>=	64	ug.mL-1

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: CHEMBL3051429

Protocol: N/A

Comment: Journal: J Agric Food Chem
Year: 2011
Volume: 59
Issue: 9
First Page: 4860
Last Page: 4867
DOI: 10.1021/jf200485k

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
260	IC50	=	260000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
340	IC50	=	340000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
17	IC50	=	17000	nM
1860	IC50	=	1860000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
147	IC50	=	147000	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：ChEMBL 靶标：Staphylococcus aureus

External ID: CHEMBL3240841

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2014
Volume: 57
Issue: 6
First Page: 2536
Last Page: 2548
DOI: 10.1021/jm401808n

Target ChEMBL ID: CHEMBL352
ChEMBL Target Name: Staphylococcus aureus
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	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	=	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	=	64	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1

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

来源：ChEMBL 靶标：Aldehyde oxidase 1

External ID: CHEMBL3051430

Protocol: N/A

Comment: Journal: J Agric Food Chem
Year: 2011
Volume: 59
Issue: 9
First Page: 4860
Last Page: 4867
DOI: 10.1021/jf200485k

Target ChEMBL ID: CHEMBL1641356
ChEMBL Target Name: Aldehyde oxidase
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
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
660	IC50	=	660000	nM	Outside typical range
757	IC50	=	757000	nM	Outside typical range
1140	IC50	=	1140000	nM	Outside typical range
700	IC50	=	700000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
260	IC50	=	260000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
360	IC50	=	360000	nM	Outside typical range
69	IC50	=	69000	nM
1000	IC50	>	1000000	nM	Outside typical range
350	IC50	=	350000	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：ChEMBL 靶标：Polyphenol oxidase 2

External ID: CHEMBL3051431

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 Agric Food Chem
Year: 2011
Volume: 59
Issue: 9
First Page: 4860
Last Page: 4867
DOI: 10.1021/jf200485k

Target ChEMBL ID: CHEMBL3318
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
270	IC50	=	270000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
177	IC50	=	177000	nM	Outside typical range
93	IC50	=	93000	nM
1000	IC50	=	1000000	nM	Outside typical range
43	IC50	=	43000	nM
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1740	IC50	=	1740000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
15	IC50	=	15000	nM
520	IC50	=	520000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
24	IC50	=	24000	nM
1000	IC50	>	1000000	nM	Outside typical range
1000	IC50	>	1000000	nM	Outside typical range
80	IC50	=	80000	nM

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：Meloidogyne incognita

External ID: CHEMBL3051195

Protocol: N/A

Comment: Journal: J Agric Food Chem
Year: 2012
Volume: 60
Issue: 30
First Page: 7345
Last Page: 7351
DOI: 10.1021/jf302075w

Target ChEMBL ID: CHEMBL613453
ChEMBL Target Name: Meloidogyne incognita
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	Data Validity Comment
EC50	>	10	ug.mL-1
EC50	=	3.6	ug.mL-1
EC50	>	250	ug.mL-1	Outside typical range
EC50	=	68.9	ug.mL-1	Outside typical range
EC50	=	14.08	ug.mL-1
EC50	>	250	ug.mL-1	Outside typical range
EC50	=	301	ug.mL-1	Outside typical range
EC50	=	8.5	ug.mL-1
EC50	=	7.86	ug.mL-1
EC50	>	250	ug.mL-1	Outside typical range
EC50	>	250	ug.mL-1	Outside typical range
EC50	>	100	ug.mL-1	Outside typical range
EC50	=	392	ug.mL-1	Outside typical range
EC50	>	1000	ug.mL-1	Outside typical range
EC50	=	0.4	ug.mL-1
EC50	=	1.13	ug.mL-1
EC50	>	250	ug.mL-1	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：Meloidogyne incognita

External ID: CHEMBL3051196

Protocol: N/A

Comment: Journal: J Agric Food Chem
Year: 2012
Volume: 60
Issue: 30
First Page: 7345
Last Page: 7351
DOI: 10.1021/jf302075w

Target ChEMBL ID: CHEMBL613453
ChEMBL Target Name: Meloidogyne incognita
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	Data Validity Comment
EC50	>	250	ug.mL-1	Outside typical range
EC50	=	25	ug.mL-1
EC50	>	250	ug.mL-1	Outside typical range
EC50	>	250	ug.mL-1	Outside typical range
EC50	=	105	ug.mL-1	Outside typical range
EC50	>	250	ug.mL-1	Outside typical range
EC50	>	250	ug.mL-1	Outside typical range
EC50	=	11.4	ug.mL-1
EC50	>	10	ug.mL-1
EC50	>	250	ug.mL-1	Outside typical range
EC50	>	250	ug.mL-1	Outside typical range
EC50	>	100	ug.mL-1	Outside typical range
EC50	>	1000	ug.mL-1	Outside typical range
EC50	>	1000	ug.mL-1	Outside typical range
EC50	=	3.3	ug.mL-1
EC50	=	1.2	ug.mL-1
EC50	>	250	ug.mL-1	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：NAD(+) hydrolase SARM1

External ID: CHEMBL4422579

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4523350
ChEMBL Target Name: NAD(+) hydrolase SARM1
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: SureChEMBL Patent Bioactivity Data

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
43.8	IC50	=	43800	nM
	Inhibition			%	Active
	Inhibition			%	Not Active
	Inhibition			%	Active
	Inhibition			%	Not Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Active
	Inhibition			%	Not Active
	Inhibition			%	Not Active

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：Gamma-aminobutyric acid receptor subunit alpha-3

External ID: CHEMBL652562

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: 1982
Volume: 25
Issue: 9
First Page: 1081
Last Page: 1091
DOI: 10.1021/jm00351a015

Target ChEMBL ID: CHEMBL1907607
ChEMBL Target Name: GABA-A receptor; anion channel
ChEMBL Target Type: PROTEIN COMPLEX GROUP - Target is a poorly defined protein complex, where subunit composition is unclear (e.g., GABA-A receptor)
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
5	Ki	=	5000	nM
0.0623	Ki	=	62.3	nM
50	Ki	>	50000	nM
7.54	Ki	=	7540	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
5.78	Ki	=	5780	nM
0.058	Ki	=	58	nM
0.001	Ki	=	1	nM
0.0011	Ki	=	1.1	nM
100	Ki	>	100000	nM
250	Ki	>	250000	nM	Outside typical range
174	Ki	=	174000	nM	Outside typical range
100	Ki	>	100000	nM
39	Ki	=	39000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
500	Ki	>	500000	nM	Outside typical range
100	Ki	>	100000	nM

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

来源：ChEMBL 靶标：Sodium- and chloride-dependent GABA transporter 1

External ID: CHEMBL4401740

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2019
Volume: 27
Issue: 7
First Page: 1232
Last Page: 1245
DOI: 10.1016/j.bmc.2019.02.015

Target ChEMBL ID: CHEMBL5445
ChEMBL Target Name: GABA transporter 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

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	94	%
Activity	=	85	%
Activity	=	89	%
Activity	=	89	%
Activity	=	90	%
Activity	=	90	%
Activity	=	90	%
Activity	=	90	%
Activity	=	90	%
Activity	=	90	%
Activity	=	89	%
Activity	=	92	%
Activity	=	92	%
Activity	=	89	%
Activity	=	92	%
Activity	=	94	%
Activity	=	87	%
Activity	=	90	%
Activity	=	93	%
Activity	=	92	%

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

来源：BindingDB 靶标：N/A

External ID: BindingDB_5720_1

Protocol: N/A

Comment: Compounds with any of Ki, IC50, Kd, or EC50 activity value <= 10uM are labeled as "Active".
If multiple measurements are available for a given compound, it is labeled as "Active" if any of the measurements meet the criterion. Activity values are checked in the order of Ki, IC50, Kd, and EC50. The first entry that meets the above activity threshold is used to determine "Standard Type", "Standard Relation", and "PubChem Standard Value". Otherwise, the first non-empty entry will be used to set those values.

Standard Type	PubChem Standard Value	Ki	Ligand	Target
Ki	1.5	1500	BDBM92858	Pyrazinamidase/nicotinamidase PncA
Ki	420	420000	BDBM92859	Pyrazinamidase/nicotinamidase PncA
Ki	63	63000	BDBM92860	Pyrazinamidase/nicotinamidase PncA
Ki	61	61000	BDBM92861	Pyrazinamidase/nicotinamidase PncA

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

来源：ChEMBL 靶标：NAD(+) hydrolase SARM1

External ID: CHEMBL4422585

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4523350
ChEMBL Target Name: NAD(+) hydrolase SARM1
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: SureChEMBL Patent Bioactivity Data

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	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：BindingDB 靶标：N/A

External ID: BindingDB_5719_1

Protocol: N/A

Comment: Compounds with any of Ki, IC50, Kd, or EC50 activity value <= 10uM are labeled as "Active".
If multiple measurements are available for a given compound, it is labeled as "Active" if any of the measurements meet the criterion. Activity values are checked in the order of Ki, IC50, Kd, and EC50. The first entry that meets the above activity threshold is used to determine "Standard Type", "Standard Relation", and "PubChem Standard Value". Otherwise, the first non-empty entry will be used to set those values.

Standard Type	PubChem Standard Value	Ki	Target Accession(s)	Ligand	Target
Ki	1.4	1400	P53184	BDBM50026863	Nicotinamidase
Ki	0.011	11		BDBM50026863	Isochorismatase family protein
Ki	0.11	110		BDBM50026863	Isochorismatase domain-containing protein
Ki	0.022	22		BDBM50026863	Isochorismatase domain-containing protein
Ki	1.3	1300		BDBM92850	Pyrazinamidase/nicotinamidase, PncA protein
Ki	4	4000	P53184	BDBM92850	Nicotinamidase
Ki	0.071	71		BDBM92850	Isochorismatase family protein
Ki	0.14	140		BDBM92850	Isochorismatase domain-containing protein
Ki	0.088	88		BDBM92850	Isochorismatase domain-containing protein
Ki	0.85	850		BDBM92851	Pyrazinamidase/nicotinamidase, PncA protein
Ki	3.8	3800	P53184	BDBM92851	Nicotinamidase
Ki	0.14	140		BDBM92851	Isochorismatase family protein
Ki	0.31	310		BDBM92851	Isochorismatase domain-containing protein
Ki	0.14	140		BDBM92851	Isochorismatase domain-containing protein
Ki	0.19	190		BDBM92852	Pyrazinamidase/nicotinamidase, PncA protein
Ki	0.65	650	P53184	BDBM92852	Nicotinamidase
Ki	0.056	56		BDBM92852	Isochorismatase family protein
Ki	370	370000		BDBM92853	Pyrazinamidase/nicotinamidase, PncA protein
Ki	500	500000	P53184	BDBM92853	Nicotinamidase
Ki	110	110000		BDBM92853	Isochorismatase family protein

500-22-1 靶点实验数据