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: CHEMBL2449008

Protocol: N/A

Comment: Journal: Pharm. Res.
Year: 2013
DOI: 10.1007/s11095-013-1232-z

Standard Type	Standard Value	Activity Comment
pKa	9	Basic pKa
pKa	10.6	Basic pKa
pKa	10.7	Basic pKa
pKa	10.7	Basic pKa
pKa	11.1	Basic pKa
pKa	8.5	Basic pKa
pKa	9.8	Basic pKa
pKa	8.9	Basic pKa
pKa	10.3	Basic pKa
pKa	11.3	Basic pKa
pKa	10.1	Basic pKa
pKa	9.8	Basic pKa
pKa	10.9	Basic pKa
pKa	10.2	Basic pKa
pKa	8.4	Basic pKa
pKa	9	Basic pKa
pKa	7.9	Basic pKa
pKa	9.4	Basic pKa
pKa	8.8	Basic pKa
pKa	10.1	Basic pKa

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: CHEMBL991844

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2008
Volume: 51
Issue: 15
First Page: 4359
Last Page: 4369
DOI: 10.1021/jm800219f

Standard Type	Standard Relation	Standard Value
pKa	=	4.62
pKa	=	4.76
pKa	=	5.17
pKa	=	10.7
pKa	=	4.2
pKa	=	10.7
pKa	=	10.7
pKa	=	4.87
pKa	=	9.99
pKa	=	16
pKa	=	4.85
pKa	=	11.1
pKa	=	4.65
pKa	=	8.9
pKa	=	9.89
pKa	=	9.29
pKa	=	3.58
pKa	=	3.79
pKa	=	3.87
pKa	=	4.14

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: CHEMBL844273

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1984
Volume: 27
Issue: 12
First Page: 1648
Last Page: 1657
DOI: 10.1021/jm00378a021

Standard Type	Standard Relation	Standard Value	Standard Units
Binding energy	=	13.1	kCal mol-1
Binding energy	=	11.2	kCal mol-1
Binding energy	=	7.9	kCal mol-1
Binding energy	=	6.8	kCal mol-1
Binding energy	=	12.5	kCal mol-1
Binding energy	=	12.7	kCal mol-1
Binding energy	=	11.5	kCal mol-1
Binding energy	=	12.9	kCal mol-1
Binding energy	=	10.7	kCal mol-1
Binding energy	=	11.2	kCal mol-1
Binding energy	=	7.2	kCal mol-1
Binding energy	=	12.3	kCal mol-1
Binding energy	=	11.5	kCal mol-1
Binding energy	=	12.8	kCal mol-1
Binding energy	=	11.7	kCal mol-1
Binding energy	=	9.7	kCal mol-1
Binding energy	=	8.9	kCal mol-1
Binding energy	=	12.3	kCal mol-1
Binding energy	=	6.8	kCal mol-1
Binding energy	=	12.8	kCal mol-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: CHEMBL633738

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1985
Volume: 28
Issue: 3
First Page: 333
Last Page: 346
DOI: 10.1021/jm00381a013

Standard Type	Standard Relation	Standard Value
LogP	=	-1.05
LogP	=	0.9
LogP	=	-0.24
LogP	=	0.62
LogP	=	0.7
LogP	=	0.18
LogP	=	0.48
LogP	=	-0.13
LogP	=	-0.24
LogP	=	-0.71
LogP	=	-0.3
LogP	=	0.75
LogP	=	2.99
LogP	=	2.46
LogP	=	2.27
LogP	=	1.85
LogP	=	0.18
LogP	=	-0.34
LogP	=	2.49
LogP	=	0.29

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: CHEMBL631694

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1987
Volume: 30
Issue: 7
First Page: 1121
Last Page: 1126
DOI: 10.1021/jm00390a002

Standard Type	Standard Relation	Standard Value
LogP	=	2.26
LogP	=	0.64
LogP	=	1.71
LogP	=	2.1
LogP	=	0.97
LogP	=	1.37
LogP	=	0.65
LogP	=	1.35
LogP	=	0.59
LogP	=	2.7
LogP	=	0.9
LogP	=	-0.17
LogP	=	0.65
LogP	=	0.57
LogP	=	0.73
LogP	=	0.18
LogP	=	0.22
LogP	=	0.74
LogP	=	0.92
LogP	=	1.21

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: CHEMBL631695

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1987
Volume: 30
Issue: 7
First Page: 1121
Last Page: 1126
DOI: 10.1021/jm00390a002

Standard Type	Standard Relation	Standard Value
LogP	=	0.5
LogP	=	-0.71
LogP	=	-0.01
LogP	=	0.74
LogP	=	0.74
LogP	=	1.87
LogP	=	-0.11
LogP	=	-0.55
LogP	=	0.15
LogP	=	1.74
LogP	=	1
LogP	=	-2.26
LogP	=	0.41
LogP	=	-0.05
LogP	=	1.01
LogP	=	0.53
LogP	=	-1.6
LogP	=	-0.08
LogP	=	-1.4
LogP	=	0.82

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: CHEMBL875968

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1987
Volume: 30
Issue: 7
First Page: 1121
Last Page: 1126
DOI: 10.1021/jm00390a002

Standard Type	Standard Relation	Standard Value
LogP	=	0
LogP	=	-1.54
LogP	=	-0.63
LogP	=	-0.03
LogP	=	0.04
LogP	=	1.4
LogP	=	-0.32
LogP	=	-1.7
LogP	=	0.04
LogP	=	0.99
LogP	=	0.6
LogP	=	-2.45
LogP	=	0.23
LogP	=	0.03
LogP	=	0.95
LogP	=	0.32
LogP	=	-2.56
LogP	=	-0.04
LogP	=	-2.31
LogP	=	0.2

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: CHEMBL632430

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1987
Volume: 30
Issue: 7
First Page: 1121
Last Page: 1126
DOI: 10.1021/jm00390a002

Standard Type	Standard Relation	Standard Value
LogP	=	0.58
LogP	=	0.11
LogP	=	0.62
LogP	=	1.38
LogP	=	1.18
LogP	=	2.3
LogP	=	0.34
LogP	=	-0.12
LogP	=	0.23
LogP	=	1.74
LogP	=	1.42
LogP	=	-1.6
LogP	=	1.43
LogP	=	0.81
LogP	=	1.8
LogP	=	1.16
LogP	=	-1.92
LogP	=	0.56
LogP	=	-0.89
LogP	=	1.42

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：ChEMBL 靶标：N/A

External ID: CHEMBL632431

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1987
Volume: 30
Issue: 7
First Page: 1121
Last Page: 1126
DOI: 10.1021/jm00390a002

Standard Type	Standard Relation	Standard Value
LogP	=	2.37
LogP	=	-0.22
LogP	=	1.51
LogP	=	1.28
LogP	=	0.82
LogP	=	1.35
LogP	=	0.53
LogP	=	1.1
LogP	=	0.38
LogP	=	1.77
LogP	=	0.85
LogP	=	-0.34
LogP	=	0.08
LogP	=	-0.07
LogP	=	0.93
LogP	=	0.43
LogP	=	0.37
LogP	=	0.11
LogP	=	1.31
LogP	=	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: CHEMBL632432

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1987
Volume: 30
Issue: 7
First Page: 1121
Last Page: 1126
DOI: 10.1021/jm00390a002

Standard Type	Standard Relation	Standard Value
LogP	=	-0.57
LogP	=	-2.3
LogP	=	-2.22
LogP	=	-1.3
LogP	=	-0.85
LogP	=	0.53
LogP	=	-0.6
LogP	=	-0.95
LogP	=	0.05
LogP	=	0.3
LogP	=	-0.3
LogP	=	-3.06
LogP	=	-0.21
LogP	=	-0.48
LogP	=	0.29
LogP	=	-0.26
LogP	=	-3.14
LogP	=	-0.62
LogP	=	-2.72
LogP	=	-0.72

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: CHEMBL851368

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1993
Volume: 36
Issue: 23
First Page: 3636
Last Page: 3645
DOI: 10.1021/jm00075a019

Standard Type	Activity Comment
pKa	Not Determined
pKa	Not Determined
pKa	Not Determined
pKa	Not Determined
pKa	Not Determined
pKa	Not Determined

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: CHEMBL631962

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2000
Volume: 10
Issue: 11
First Page: 1155
Last Page: 1158
DOI: 10.1016/s0960-894x(00)00172-4

Standard Type	Standard Relation	Standard Value
Log S	=	-4.62
Log S	=	-4.19
Log S	=	-3.75
Log S	=	-4.07
Log S	=	-3.99
Log S	=	-1.72
Log S	=	-4.52
Log S	=	-1.82
Log S	=	-0.96
Log S	=	-2.29
Log S	=	-1.42
Log S	=	-3.19
Log S	=	-5.82
Log S	=	-3.28
Log S	=	-1.52
Log S	=	-5.1
Log S	=	-3.66
Log S	=	-1.71
Log S	=	-1.33
Log S	=	1.11

75-04-7 靶点实验数据