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-Ki for protein-ligand complexes

Protocol:

Comment:

PDBbind Data Link	Affinity_Quilifier	Ki	PubMed	Protein Target	Protein Name	MMDB	PDB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mto	=	0.11	12390023	1MTO_A,1MTO_B	6-phosphofructokinase	21480	1MTO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mu6	=	0.0042	12570369	1MU6_B	thrombin alpha	26736	1MU6
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mue	=	0.0023	12657281	1MUE_B	thrombin alpha	26738	1MUE
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mx1	>	100	12725862	1MX1_A	carboxylesterase i	22651	1MX1
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mxo	=	0.001		1MXO_A	beta-lactamase	22061	1MXO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1my8	=	0.035		1MY8_A	beta-lactamase	22064	1MY8
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n1v	=	140	12507479	1N1V_A	neuraminidase (sialidase)	21810	1N1V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n2v	=	83	12646024	1N2V_A	queuine tRNA-ribosyltransferase	22661	1N2V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n3i	=	0.0013	12755607	1N3I_A,1N3I_B	purine nucleoside phosphorylase	24646	1N3I
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n46	=	3.0E-5	12565933	1N46_A	thyroid hormone receptor beta-1	22662	1N46
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n4h	=	0.28	12958591	1N4H_A	nuclear receptor ror-beta	24647	1N4H
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n5r	=	2.2	12505979	1N5R_A	acetylcholinesterase	21834	1N5R
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n7i	=	0.26	14695818	1N7I_A	phenylethanolamine n-methyltransferase	25597	1N7I
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nc1	=	0.75	12496243	1NC1_A,1NC1_B	mta/sah nucleosidase	25250	1NC1
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nc3	=	10	12496243	1NC3_A,1NC3_B	mta/sah nucleosidase	22390	1NC3
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nde	=	0.015	12459017	1NDE_A	estrogen receptor beta	21544	1NDE
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1ndz	=	0.0077	14709046	1NDZ_A	adenosine deaminase	25613	1NDZ
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nhv	=	2.2	12509436	1NHV_A	rna-dependent rna polymerase	22403	1NHV
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nny	=	0.022	12670229	1NNY_A	tyrosine phosphatase 1b	22696	1NNY
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1noj	=	700	8652510	1NOJ_A	glycogen phosphorylase	56992	1NOJ

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：cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A

External ID: CHEMBL4425335

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: 2016
Volume: 59
Issue: 15
First Page: 7029
Last Page: 7065
DOI: 10.1021/acs.jmedchem.5b01813

Target ChEMBL ID: CHEMBL4409
ChEMBL Target Name: Phosphodiesterase 10A
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
560	Ki	=	560000	nM	Outside typical range
94	Ki	=	94000	nM
990	Ki	=	990000	nM	Outside typical range
210	Ki	=	210000	nM	Outside typical range
16	Ki	=	16000	nM
500	Ki	=	500000	nM	Outside typical range
300	Ki	=	300000	nM	Outside typical range
450	Ki	=	450000	nM	Outside typical range
5.5	Ki	=	5500	nM
380	Ki	=	380000	nM	Outside typical range
410	Ki	=	410000	nM	Outside typical range
940	Ki	=	940000	nM	Outside typical range
1.1	Ki	=	1100	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: 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

156-83-2 靶点实验数据