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: CHEMBL3992812

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 126
First Page: 225
Last Page: 245
DOI: 10.1016/j.ejmech.2016.09.091

Standard Type	Standard Relation	Standard Value	Activity Comment
LogP	=	3.4
LogP	=	0.3
LogP	=	1.4
LogP	=	2.6
LogP	=	-0.3
LogP	=	1.8
LogP	=	1.3
LogP	=	0.2
LogP	=	0.5
LogP	=	1.5
LogP			Not Determined
LogP			Not Determined
LogP	=	4.8
LogP			Not Determined
LogP	=	4.4
LogP	=	2.7
LogP	=	4.3

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: CHEMBL4030273

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 11
First Page: 2319
Last Page: 2323
DOI: 10.1016/j.bmcl.2017.04.037

Standard Type	Standard Relation	Standard Value
FC	=	0.69
FC	=	0.98
FC	=	0.93
FC	=	0.93
FC	=	0.89
FC	=	0.87
FC	=	0.96

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: CHEMBL4030274

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 11
First Page: 2319
Last Page: 2323
DOI: 10.1016/j.bmcl.2017.04.037

Standard Type	Standard Relation	Standard Value
FC	=	0.58
FC	=	1.45
FC	=	0.64
FC	=	0.83
FC	=	0.81
FC	=	1.22
FC	=	0.54

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

来源：ChEMBL 靶标：Histone deacetylase 8

External ID: CHEMBL4030271

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 11
First Page: 2319
Last Page: 2323
DOI: 10.1016/j.bmcl.2017.04.037

Target ChEMBL ID: CHEMBL3192
ChEMBL Target Name: Histone deacetylase 8
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	=	0.5
FC	=	1.5
FC	=	1.4
FC	=	1.4
FC	=	1.3
FC	=	1.2
FC	=	2.7

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 8

External ID: CHEMBL4030272

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 11
First Page: 2319
Last Page: 2323
DOI: 10.1016/j.bmcl.2017.04.037

Target ChEMBL ID: CHEMBL3192
ChEMBL Target Name: Histone deacetylase 8
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	=	2.2
FC	=	1.2
FC	=	1.1
FC	=	1.7
FC	=	1.7
FC	=	1.4
FC	=	1.7

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：N/A

External ID: CHEMBL3992820

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 126
First Page: 225
Last Page: 245
DOI: 10.1016/j.ejmech.2016.09.091

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Solubility	=	20	ug.mL-1
Solubility	=	300	ug.mL-1
Solubility	=	900	ug.mL-1
Solubility	=	10	ug.mL-1
Solubility	=	11100	ug.mL-1
Solubility	=	100	ug.mL-1
Solubility	=	400	ug.mL-1
Solubility	=	700	ug.mL-1
Solubility	=	200	ug.mL-1
Solubility	=	300	ug.mL-1
Solubility	=	900	ug.mL-1
Solubility	=	600	ug.mL-1
Solubility	=	6000	ug.mL-1
Solubility	=	20	ug.mL-1
Solubility	=	800	ug.mL-1
Solubility	<	1	ug.mL-1
Solubility	=	90	ug.mL-1
Therm_solubility				Not Determined
Solubility	=	9100	ug.mL-1
Solubility	=	300	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: CHEMBL3992819

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 126
First Page: 225
Last Page: 245
DOI: 10.1016/j.ejmech.2016.09.091

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Solubility	<	1	ug.mL-1
Solubility	>	44	ug.mL-1
Solubility	>	50	ug.mL-1
Solubility	=	14	ug.mL-1
Solubility	>	46	ug.mL-1
Solubility	=	10	ug.mL-1
solubility				Not Determined
solubility				Not Determined
solubility				Not Determined
Solubility	>	47	ug.mL-1
Solubility	>	49	ug.mL-1
Solubility	=	47	ug.mL-1
Solubility	=	50	ug.mL-1
Solubility	=	7	ug.mL-1
Solubility	>	48	ug.mL-1
Solubility	<	1	ug.mL-1
Solubility	=	47	ug.mL-1
Solubility	=	48	ug.mL-1
Solubility	>	50	ug.mL-1
solubility				Not Determined

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：N/A

External ID: CHEMBL3992821

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 126
First Page: 225
Last Page: 245
DOI: 10.1016/j.ejmech.2016.09.091

Standard Type	Standard Relation	Standard Value	Standard Units
Papp	=	5.1	10'-6 cm/s
Papp	=	8.2	10'-6 cm/s
Papp	=	7.1	10'-6 cm/s
Papp	=	6	10'-6 cm/s
Papp	=	11	10'-6 cm/s
Papp	=	5.7	10'-6 cm/s
Papp	=	6.3	10'-6 cm/s
Papp	=	5.1	10'-6 cm/s
Papp	=	8.7	10'-6 cm/s
Papp	=	4.1	10'-6 cm/s
Papp	=	0.8	10'-6 cm/s
Papp	=	9.6	10'-6 cm/s
Papp	=	6.9	10'-6 cm/s

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

来源：ChEMBL 靶标：Liver

External ID: CHEMBL3992818

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 126
First Page: 225
Last Page: 245
DOI: 10.1016/j.ejmech.2016.09.091

Target ChEMBL ID: CHEMBL613419
ChEMBL Target Name: Liver
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	=	39	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	=	26	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%

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

来源：ChEMBL 靶标：Liver

External ID: CHEMBL3992817

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 126
First Page: 225
Last Page: 245
DOI: 10.1016/j.ejmech.2016.09.091

Target ChEMBL ID: CHEMBL613419
ChEMBL Target Name: Liver
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
T1/2	>	2.167	hr
T1/2	>	2.167	hr
T1/2	>	2.167	hr
T1/2	=	1	hr
T1/2	>	2.167	hr
T1/2	>	2.167	hr
T1/2	>	2.167	hr
T1/2	>	2.167	hr
T1/2	=	1.833	hr
T1/2	>	2.167	hr
T1/2	>	2.167	hr
T1/2	>	2.167	hr

Standard Type	Standard Relation	Standard Value	Standard Units
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	=	39	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	=	26	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%

Standard Type	Standard Relation	Standard Value	Standard Units
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	=	39	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	=	26	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%

349-97-3 靶点实验数据

Standard Type	Standard Relation	Standard Value	Standard Units
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	=	39	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%
CLH	=	26	%
CLH	<	23	%
CLH	<	23	%
CLH	<	23	%