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

来源：ChEMBL 靶标：Reverse transcriptase/RNaseH

External ID: CHEMBL5385442

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 9
First Page: 6013
Last Page: 6024
DOI: 10.1021/acs.jmedchem.2c01681

Target ChEMBL ID: CHEMBL247
ChEMBL Target Name: Human immunodeficiency virus type 1 reverse transcriptase
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	=	99	%
Inhibition	=	76	%
Inhibition	=	96	%
Inhibition	=	99	%
Inhibition	=	55	%
Inhibition	=	55	%
Inhibition	=	22	%
Inhibition	=	99	%
Inhibition	=	75	%
Inhibition	=	35	%
Inhibition	=	35	%

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: CHEMBL865960

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	30.2	%
Activity	=	21.3	%
Activity	=	43.1	%
Activity	=	11.7	%
Activity	=	36.8	%
Activity	=	44.5	%
Activity	=	37.7	%
Activity	=	8.6	%
Activity	=	36.5	%
Activity	=	39.9	%
Activity	=	46.7	%
Activity	=	4.3	%
Activity	=	38.8	%
Activity	=	38.5	%
Activity	=	1.2	%
Activity	=	11	%
Activity	=	4.4	%
Activity	=	13.9	%
Activity	=	36.2	%
Activity	=	39.4	%

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: CHEMBL865961

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Standard Type	Standard Relation	Standard Value	Standard Units
log Pe	=	-4.58	cm/s
log Pe	=	-4.2	cm/s
log Pe	=	-4.16	cm/s
log Pe	=	-5.15	cm/s
log Pe	=	-4.35	cm/s
log Pe	=	-4.05	cm/s
log Pe	=	-4.35	cm/s
log Pe	=	-4.56	cm/s
log Pe	=	-4.19	cm/s
log Pe	=	-4.33	cm/s
log Pe	=	-4.14	cm/s
log Pe	=	-5.63	cm/s
log Pe	=	-4.21	cm/s
log Pe	=	-4.25	cm/s
log Pe	=	-6.2	cm/s
log Pe	=	-4.33	cm/s
log Pe	=	-5.62	cm/s
log Pe	=	-4.34	cm/s
log Pe	=	-4.11	cm/s
log Pe	=	-4.1	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：N/A

External ID: CHEMBL865962

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Standard Type	Standard Relation	Standard Value
pKa	=	8.08
pKa	=	4.42
pKa	=	2.88
pKa	=	7.49
pKa	=	7.94
pKa	=	5.37
pKa	=	1.86
pKa	=	9.4
pKa	=	6.9
pKa	=	9.99
pKa	=	0.6
pKa	<	2
pKa	=	4.25
pKa	=	1.44
pKa	=	4.16
pKa	=	9.21
pKa	=	10.6
pKa	=	4.18
pKa	=	9.26
pKa	=	9.13

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: CHEMBL875369

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1982
Volume: 25
Issue: 3
First Page: 315
Last Page: 320
DOI: 10.1021/jm00345a016

Standard Type	Standard Relation	Standard Value
pKa	=	9.9
pKa	=	5
pKa	=	7.6
pKa	=	7.1
pKa	=	7.2
pKa	=	10
pKa	=	8.4
pKa	=	9.9
pKa	=	10.3
pKa	=	10.1
pKa	=	9.4
pKa	=	9.7
pKa	=	10.4
pKa	=	10.7
pKa	=	10.1
pKa	=	10.1
pKa	=	10.3
pKa	=	9.4
pKa	=	9.3
pKa	=	9.5

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: CHEMBL865963

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	<	1	%
Activity	<	1	%
Activity	<	1	%
Activity	<	1	%
Activity	=	47	%
Activity	=	14.1	%
Activity	<	1	%
Activity	=	2.9	%
Activity	<	1	%
Activity	<	1	%
Activity	<	1	%
Activity	<	1	%
Activity	=	17.4	%
Activity	=	47	%
Activity	=	6.3	%
Activity	<	1	%
Activity	=	25.3	%
Activity	<	1	%
Activity	<	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: CHEMBL865954

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Standard Type	Standard Relation	Standard Value	Standard Units
log Kp	=	-4.29	cm/s
log Kp	=	-4.7	cm/s
log Kp	=	-4.05	cm/s
log Kp	=	-4.08	cm/s
log Kp	=	-5.08	cm/s
log Kp	=	-4.45	cm/s
log Kp	=	-3.68	cm/s
log Kp	=	-4	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：N/A

External ID: CHEMBL865955

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Standard Type	Standard Relation	Standard Value	Standard Units
log Pe	=	-4.86	cm/s
log Pe	=	-4.74	cm/s
log Pe	=	-4.19	cm/s
log Pe	=	-4.31	cm/s
log Pe	=	-4.35	cm/s
log Pe	=	-5.24	cm/s
log Pe	=	-4.53	cm/s
log Pe	=	-4.79	cm/s
log Pe	=	-4.11	cm/s
log Pe	=	-4.51	cm/s
log Pe	=	4.23	cm/s
log Pe	=	-4.18	cm/s
log Pe	=	-4.61	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：N/A

External ID: CHEMBL865956

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Standard Type	Standard Relation	Standard Value	Standard Units
log Pe	=	-4.23	cm/s
log Pe	=	-3.98	cm/s
log Pe	=	-4.16	cm/s
log Pe	=	-4.33	cm/s
log Pe	=	-4.63	cm/s
log Pe	=	-4.41	cm/s
log Pe	=	-4.09	cm/s
log Pe	=	-4	cm/s
log Pe	=	-5.05	cm/s
log Pe	=	-4.29	cm/s
log Pe	=	-5.4	cm/s
log Pe	=	-4.66	cm/s
log Pe	=	-4.23	cm/s
log Pe	=	-4.31	cm/s
log Pe	=	-4.08	cm/s
log Pe	=	-3.96	cm/s
log Pe	=	-4.35	cm/s
log Pe	=	-4.25	cm/s
log Pe	=	-4.73	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：N/A

External ID: CHEMBL832426

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: 2004
Volume: 47
Issue: 16
First Page: 4060
Last Page: 4065
DOI: 10.1021/jm049872s

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
9	IC50	=	9000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
0.18	IC50	=	180	nM
7	IC50	=	7000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	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：N/A

External ID: CHEMBL865959

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	4.1	%
Activity	=	52.8	%
Activity	=	5.7	%
Activity	<	1	%
Activity	=	9.7	%
Activity	=	7.3	%
Activity	=	7.2	%
Activity	=	73.5	%
Activity	=	20.1	%
Activity	=	4.6	%
Activity	<	1	%
Activity	<	1	%
Activity	=	13.5	%
Activity	=	12.1	%
Activity	<	1	%
Activity	=	72.4	%
Activity	<	1	%
Activity	=	66.2	%
Activity	=	23.1	%
Activity	=	16.8	%

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

来源：ChEMBL 靶标：Skin

External ID: CHEMBL925052

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2007
Volume: 50
Issue: 4
First Page: 742
Last Page: 748
DOI: 10.1021/jm0611105

Target ChEMBL ID: CHEMBL613427
ChEMBL Target Name: Skin
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
log Kp	=	-5.26
log Kp	=	-5.39
log Kp	=	-6.9
log Kp	=	-5.32
log Kp	=	-5.33
log Kp	=	-6.02
log Kp	=	-5.08
log Kp	=	-5.11
log Kp	=	-5.08
log Kp	=	-5.81
log Kp	=	-5.64
log Kp	=	-7.56
log Kp	=	-5.56
log Kp	=	-4.7
log Kp	=	-7.74
log Kp	=	-7.17
log Kp	=	-5.3
log Kp	=	-7.18
log Kp	=	-4.83
log Kp	=	-4.97

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: CHEMBL925053

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2007
Volume: 50
Issue: 4
First Page: 742
Last Page: 748
DOI: 10.1021/jm0611105

Standard Type	Standard Relation	Standard Value
log Pe	=	-4.58
log Pe	=	-4.2
log Pe	=	-4.26
log Pe	=	-4.25
log Pe	=	-6.2
log Pe	=	-5.15
log Pe	=	-4.35
log Pe	=	-4.05
log Pe	=	-4.35
log Pe	=	-4.56
log Pe	=	-4.19
log Pe	=	-4.35
log Pe	=	-4.21
log Pe	=	-4.32
log Pe	=	-4.14
log Pe	=	-4.21
log Pe	=	-5.63
log Pe	=	-4.56
log Pe	=	-4.64
log Pe	=	-4.21

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

来源：ChEMBL 靶标：Albumin

External ID: CHEMBL810806

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1988
Volume: 31
Issue: 10
First Page: 1923
Last Page: 1933
DOI: 10.1021/jm00118a010

Target ChEMBL ID: CHEMBL3728
ChEMBL Target Name: Serum albumin
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value
Log 1/C	=	3.32
Log 1/C	=	3.4
Log 1/C	=	4.07
Log 1/C	=	3.58
Log 1/C	=	3.23
Log 1/C	=	3
Log 1/C	=	4.91
Log 1/C	=	3.68
Log 1/C	=	4
Log 1/C	=	3.7
Log 1/C	=	3.15
Log 1/C	=	4.66
Log 1/C	=	4.3
Log 1/C	=	2.92
Log 1/C	=	4.52
Log 1/C	=	4.4
Log 1/C	=	3.54
Log 1/C	=	3.26
Log 1/C	=	4.22
Log 1/C	=	2.94

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: CHEMBL865964

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	27.5	%
Activity	=	22.6	%
Activity	<	1	%
Activity	=	45.6	%
Activity	=	22.1	%
Activity	=	35.1	%
Activity	=	9.7	%
Activity	=	33.4	%
Activity	<	1	%
Activity	=	22.8	%
Activity	<	1	%
Activity	<	1	%
Activity	=	39.1	%
Activity	=	22.1	%
Activity	=	42.9	%
Activity	<	1	%
Activity	=	34.3	%
Activity	=	30.1	%
Activity	<	1	%

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

来源：ChEMBL 靶标：L1210

External ID: CHEMBL914537

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2005
Volume: 48
Issue: 23
First Page: 7234
Last Page: 7242
DOI: 10.1021/jm050567w

Target ChEMBL ID: CHEMBL386
ChEMBL Target Name: L1210
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
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%
Activity	<	15	%

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: CHEMBL865965

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	<	1	%
Activity	=	18.1	%
Activity	<	1	%
Activity	=	14.6	%
Activity	=	89.1	%
Activity	=	60.2	%
Activity	=	8.9	%
Activity	=	6.3	%
Activity	<	1	%
Activity	=	47.5	%
Activity	<	1	%
Activity	<	1	%
Activity	=	73.4	%
Activity	=	62.7	%
Activity	=	49.4	%
Activity	<	1	%
Activity	=	60.9	%
Activity	=	40.2	%
Activity	<	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: CHEMBL638474

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1982
Volume: 25
Issue: 3
First Page: 315
Last Page: 320
DOI: 10.1021/jm00345a016

Standard Type	Standard Relation	Standard Value
LogD	=	0.16
LogD	=	5.54
LogD	=	1.22
LogD	=	1.61
LogD	=	1.47
LogD	=	1.48
LogD	=	1.33
LogD	=
LogD	=	1.94
LogD	=	3.12
LogD	=	0.78
LogD	=	0.57
LogD	=	2.88
LogD	=	3.3
LogD	=	2.86
LogD	=	1.97
LogD	=	1.98
LogD	=	2.39
LogD	=	2.55
LogD	=	3.2

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: CHEMBL865966

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	44.6	%
Activity	=	39.7	%
Activity	=	46.3	%
Activity	=	35.3	%
Activity	=	3	%
Activity	=	15.3	%
Activity	=	43.4	%
Activity	=	45.4	%
Activity	=	14.4	%
Activity	=	22.4	%
Activity	=	7	%
Activity	=	27.9	%
Activity	=	11.7	%
Activity	=	15.7	%
Activity	=	23.6	%
Activity	=	47.7	%
Activity	=	15.9	%
Activity	=	26.4	%
Activity	=	25.1	%

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: CHEMBL925051

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2007
Volume: 50
Issue: 4
First Page: 742
Last Page: 748
DOI: 10.1021/jm0611105

Standard Type	Standard Relation	Standard Value
LogP	=	1.17
LogP	=	4.27
LogP	=	4.39
LogP	=	2.92
LogP	=	-0.62
LogP	=	0.22
LogP	=	5.03
LogP	=	3.48
LogP	=	-0.12
LogP	=	1.47
LogP	=	-0.96
LogP	=	2.26
LogP	=	2.08
LogP	=	3.06
LogP	=	3.87
LogP	=	2.7
LogP	=	0.65
LogP	=	1.87
LogP	=	1.91
LogP	=	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：L1210

External ID: CHEMBL914539

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2005
Volume: 48
Issue: 23
First Page: 7234
Last Page: 7242
DOI: 10.1021/jm050567w

Target ChEMBL ID: CHEMBL386
ChEMBL Target Name: L1210
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
log(1/ID50)	=	4.59	-
log(1/ID50)	=	3.45	-
log(1/ID50)	=	3.34	-
log(1/ID50)	=	3.27	-
log(1/ID50)	=	3.48	-
log(1/ID50)	=	3.73	-
log(1/ID50)	=	3.85	-
log(1/ID50)	=	3.46	-
log(1/ID50)	=	2.7	-
log(1/ID50)	=	5.16	-
log(1/ID50)	=	3.75	-
log(1/ID50)	=	3.26	-
log(1/ID50)	=	4.24	-
log(1/ID50)	=	3.5	-
log(1/ID50)	=	3.02	-
log(1/ID50)	=	3.73	-
log(1/ID50)	=	3.04	-
log(1/ID50)	=	3.8	-
log(1/ID50)	=	3.85	-
log(1/ID50)	=	4.04	-

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

来源：ChEMBL 靶标：Homo sapiens

External ID: CHEMBL865441

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 13
First Page: 3948
Last Page: 3954
DOI: 10.1021/jm060230+

Target ChEMBL ID: CHEMBL372
ChEMBL Target Name: Homo sapiens
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
log Kp	=	-5.26	cm/s
log Kp	=	-5.39	cm/s
log Kp	=	-5.45	cm/s
log Kp	=	-6.9	cm/s
log Kp	=	-5.32	cm/s
log Kp	=	-5.33	cm/s
log Kp	=	-6.02	cm/s
log Kp	=	-5.08	cm/s
log Kp	=	-5.11	cm/s
log Kp	=	-5.81	cm/s
log Kp	=	-5.54	cm/s
log Kp	=	-7.56	cm/s
log Kp	=	-5.56	cm/s
log Kp	=	-4.7	cm/s
log Kp	=	-7.74	cm/s
log Kp	=	-5.3	cm/s
log Kp	=	-7.18	cm/s
log Kp	=	-4.83	cm/s
log Kp	=	-4.97	cm/s
log Kp	=	-5	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：N/A

External ID: CHEMBL3256050

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1977
Volume: 20
Issue: 8
First Page: 1071
Last Page: 1081
DOI: 10.1021/jm00218a017

Standard Type	Standard Relation	Standard Value
LogP	=	-0.83
LogP	=	0.64
LogP	=	1.16
LogP	=	1.09
LogP	=	1.3
LogP	=	0.9
LogP	=	1.81
LogP	=	1.46
LogP	=	2
LogP	=	1.34
LogP	=	2.99
LogP	=	2.84
LogP	=	2.27
LogP	=	0.82
LogP	=	1.85
LogP	=	1.56
LogP	=	1.58
LogP	=	2.69
LogP	=	1.48
LogP	=	2.13

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: CHEMBL3256053

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1977
Volume: 20
Issue: 8
First Page: 1071
Last Page: 1081
DOI: 10.1021/jm00218a017

Standard Type	Standard Relation	Standard Value
LogP	=	0.96
LogP	=	1.3
LogP	=	1.64
LogP	=	1.04
LogP	=	1.84
LogP	=	2.16
LogP	=	1.84
LogP	=	2.72
LogP	=	2.8
LogP	=	1.28
LogP	=	2.24
LogP	=	1.56
LogP	=	1.69
LogP	=	2.46
LogP	=	2.61
LogP	=	2.41

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

来源：ChEMBL 靶标：Polyunsaturated fatty acid lipoxygenase ALOX15

External ID: CHEMBL831078

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: 2004
Volume: 47
Issue: 16
First Page: 4060
Last Page: 4065
DOI: 10.1021/jm049872s

Target ChEMBL ID: CHEMBL2903
ChEMBL Target Name: Arachidonate 15-lipoxygenase
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
2.2	IC50	=	2200	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
5	IC50	=	5000	nM
10	IC50	=	10000	nM
0.8	IC50	=	800	nM
0.11	IC50	=	110	nM
1.8	IC50	=	1800	nM
100	IC50	>	100000	nM
34	IC50	=	34000	nM
5	IC50	=	5000	nM
4	IC50	=	4000	nM

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

来源：ChEMBL 靶标：Polyunsaturated fatty acid lipoxygenase ALOX12

External ID: CHEMBL833559

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: 2004
Volume: 47
Issue: 16
First Page: 4060
Last Page: 4065
DOI: 10.1021/jm049872s

Target ChEMBL ID: CHEMBL3687
ChEMBL Target Name: Arachidonate 12-lipoxygenase
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
6.2	IC50	=	6200	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
6	IC50	=	6000	nM
12	IC50	=	12000	nM
30	IC50	=	30000	nM
5.1	IC50	=	5100	nM
0.7	IC50	=	700	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
7	IC50	=	7000	nM
10	IC50	=	10000	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: CHEMBL850274

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2004
Volume: 47
Issue: 16
First Page: 4060
Last Page: 4065
DOI: 10.1021/jm049872s

Standard Type	Standard Relation	Standard Value
CLogP	=	2.59
CLogP	=	3.36
CLogP	=	7.67
CLogP	=	6.77
CLogP	=	2.35
CLogP	=	2.63
CLogP	=	1.97
CLogP	=	7.34
CLogP	=	6.66
CLogP	=	7.42
CLogP	=	8.21
CLogP	=	3.59
CLogP	=	3.22
CLogP	=	6.12
CLogP	=	6.41

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: CHEMBL635387

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1988
Volume: 31
Issue: 10
First Page: 1923
Last Page: 1933
DOI: 10.1021/jm00118a010

Standard Type	Standard Relation	Standard Value
LogP	=	1.46
LogP	=	1.34
LogP	=	2.14
LogP	=	1.85
LogP	=	1.56
LogP	=	1.58
LogP	=	3.3
LogP	=	1.83
LogP	=	2.11
LogP	=	1.94
LogP	=	0.8
LogP	=	3.3
LogP	=	2.5
LogP	=	0.95
LogP	=	2.95
LogP	=	2.91
LogP	=	1.58
LogP	=	1.7
LogP	=	2.4
LogP	=	1.17

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

来源：ChEMBL 靶标：Bacillus subtilis

External ID: CHEMBL650437

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1982
Volume: 25
Issue: 3
First Page: 315
Last Page: 320
DOI: 10.1021/jm00345a016

Target ChEMBL ID: CHEMBL359
ChEMBL Target Name: Bacillus subtilis
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
Log 1/I50	=	1.35	1/M
Log 1/I50	=	3.7	1/M
Log 1/I50	=	1.7	1/M
Log 1/I50	=	2.17	1/M
Log 1/I50	=	2.5	1/M
Log 1/I50	=	2.82	1/M
Log 1/I50	=	3.05	1/M
Log 1/I50	=	2.2	1/M
Log 1/I50	=
Log 1/I50	=	2.44	1/M
Log 1/I50	=	3.52	1/M
Log 1/I50	=	2.42	1/M
Log 1/I50	=	1.52	1/M
Log 1/I50	=	3.57	1/M
Log 1/I50	=	3.31	1/M
Log 1/I50	=	3.17	1/M
Log 1/I50	=	2.89	1/M
Log 1/I50	=	2.89	1/M
Log 1/I50	=	3.1	1/M
Log 1/I50	=	3.14	1/M

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: CHEMBL636802

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1982
Volume: 25
Issue: 3
First Page: 315
Last Page: 320
DOI: 10.1021/jm00345a016

Standard Type	Standard Relation	Standard Value
LogP	=	2.24
LogP	=	0.16
LogP	=	7.54
LogP	=	1.37
LogP	=	1.96
LogP	=	1.77
LogP	=	1.48
LogP	=	2
LogP	=	1.33
LogP	=	1.57
LogP	=	1.94
LogP	=	3.12
LogP	=	0.78
LogP	=	0.57
LogP	=	2.88
LogP	=	3.3
LogP	=	2.86
LogP	=	1.97
LogP	=	1.98
LogP	=	2.39

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: CHEMBL633693

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1988
Volume: 31
Issue: 10
First Page: 1923
Last Page: 1933
DOI: 10.1021/jm00118a010

Standard Type	Standard Relation	Standard Value
Log k' w	=	1.251
Log k' w	=	1.004
Log k' w	=	2.014
Log k' w	=	1.633
Log k' w	=	1.279
Log k' w	=	1.359
Log k' w	=	3.191
Log k' w	=	1.855
Log k' w	=	2.006
Log k' w	=	1.759
Log k' w	=	0.544
Log k' w	=	3.092
Log k' w	=	2.391
Log k' w	=	0.603
Log k' w	=	2.847
Log k' w	=	2.795
Log k' w	=	1.254
Log k' w	=	1.557
Log k' w	=	2.228
Log k' w	=	1.014

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: CHEMBL938588

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2009
Volume: 17
Issue: 2
First Page: 896
Last Page: 904
DOI: 10.1016/j.bmc.2008.11.040

Standard Type	Standard Relation	Standard Value
log Ks	=	2.33
log Ks	=	2.76
log Ks	=	1.76
log Ks	=	1.78
log Ks	=	1.97
log Ks	=	2.52
log Ks	=	3.28
log Ks	=	2.71
log Ks	=	3.22
log Ks	=	1.78
log Ks	=	3.01
log Ks	=	3.07
log Ks	=	3.08
log Ks	=	1.98
log Ks	=	2.32
log Ks	=	2.2
log Ks	=	2.67
log Ks	=	2.69
log Ks	=	1.73
log Ks	=	1.97

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

来源：ChEMBL 靶标：Bacillus subtilis

External ID: CHEMBL650770

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1982
Volume: 25
Issue: 3
First Page: 315
Last Page: 320
DOI: 10.1021/jm00345a016

Target ChEMBL ID: CHEMBL359
ChEMBL Target Name: Bacillus subtilis
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	Data Validity Comment
6830	IC50	=	6830000	nM	Outside typical range
3150	IC50	=	3150000	nM	Outside typical range
1500	IC50	=	1500000	nM	Outside typical range
901	IC50	=	901000	nM	Outside typical range
6310	IC50	=	6310000	nM	Outside typical range
3640	IC50	=	3640000	nM	Outside typical range
302	IC50	=	302000	nM	Outside typical range
3830	IC50	=	3830000	nM	Outside typical range
29900	IC50	=	29900000	nM	Outside typical range
268	IC50	=	268000	nM	Outside typical range
494	IC50	=	494000	nM	Outside typical range
674	IC50	=	674000	nM	Outside typical range
2010	IC50	=	2010000	nM	Outside typical range
1300	IC50	=	1300000	nM	Outside typical range
797	IC50	=	797000	nM	Outside typical range
717	IC50	=	717000	nM	Outside typical range
129	IC50	=	129000	nM	Outside typical range
346	IC50	=	346000	nM	Outside typical range
130	IC50	=	130000	nM	Outside typical range
16800	IC50	=	16800000	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: CHEMBL876466

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2005
Volume: 48
Issue: 9
First Page: 3269
Last Page: 3279
DOI: 10.1021/jm048980b

Standard Type	Standard Relation	Standard Value
Log PNalk	=	0.03
Log PNalk	=	0.98
Log PNalk	=	0.73
Log PNalk	=	3.6
Log PNalk	=	-0.38
Log PNalk	=	1.3
Log PNalk	=	-0.3
Log PNalk	=	-1.6
Log PNalk	=	1.37
Log PNalk	=	-1.28
Log PNalk	=	-0.92
Log PNalk	=	1.75
Log PNalk	=	-2.28
Log PNalk	=	-0.6
Log PNalk	=	0.52
Log PNalk	=	-2.75
Log PNalk	=	3.1
Log PNalk	=	-2.15
Log PNalk	=	-0.99
Log PNalk	=	-1.22

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：Hepatotoxicity

External ID: CHEMBL1697722

Protocol: N/A

Comment: Journal: Chem Res Toxicol
Year: 2010
Volume: 23
Issue: 7
First Page: 1215
Last Page: 1222
DOI: 10.1021/tx1000865

Target ChEMBL ID: CHEMBL1697861
ChEMBL Target Name: Hepatotoxicity
ChEMBL Target Type: PHENOTYPE - Target is a biological phenotype or process
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	NE: No evidence of hepatotoxicity in any species
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	NE: No evidence of hepatotoxicity in any species
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	NE: No evidence of hepatotoxicity in any species
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	NE: No evidence of hepatotoxicity in any species
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	NE: No evidence of hepatotoxicity in any species
Hepatotoxicity	HH: Evidence of human hepatotoxicity
Hepatotoxicity	WE: Weak evidence (<10 case reports) of human hepatotoxicity
Hepatotoxicity	WE: Weak evidence (<10 case reports) of human hepatotoxicity

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：Hepatotoxicity

External ID: CHEMBL1697730

Protocol: N/A

Comment: Journal: Drug Metab Dispos
Year: 2010
Volume: 38
Issue: 12
First Page: 2302
Last Page: 2308
DOI: 10.1124/dmd.110.035113

Target ChEMBL ID: CHEMBL1697861
ChEMBL Target Name: Hepatotoxicity
ChEMBL Target Type: PHENOTYPE - Target is a biological phenotype or process
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Hepatotoxicity	DILI positive (training set)
Hepatotoxicity	DILI positive (training set)
Hepatotoxicity	DILI negative (test set)
Hepatotoxicity	DILI positive (test set)
Hepatotoxicity	DILI negative (training set)
Hepatotoxicity	DILI positive (test set)
Hepatotoxicity	DILI positive (training set)
Hepatotoxicity	DILI positive (training set)
Hepatotoxicity	DILI positive (training set)
Hepatotoxicity	DILI negative (test set)
Hepatotoxicity	DILI positive (training set)
Hepatotoxicity	DILI positive (test set)
Hepatotoxicity	DILI positive (test set)
Hepatotoxicity	DILI positive (training set)
Hepatotoxicity	DILI negative (training set)
Hepatotoxicity	DILI negative (training set)
Hepatotoxicity	DILI positive (training set)
Hepatotoxicity	DILI negative (test set)
Hepatotoxicity	DILI positive (test set)
Hepatotoxicity	DILI negative (training set)

106-41-2 靶点实验数据