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: CHEMBL926551

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2007
Volume: 15
Issue: 22
First Page: 6943
Last Page: 6955
DOI: 10.1016/j.bmc.2007.07.050

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	=	-5.35
log Kp	=	-5.23
log Kp	=	-8.21
log Kp	=	-5.43
log Kp	=	-4.74
log Kp	=	-6.76
log Kp	=	-5.79
log Kp	=	-8
log Kp	=	-6.96
log Kp	=	-5.23
log Kp	=	-6.55
log Kp	=	-6.23
log Kp	=	-6.55
log Kp	=	-6.6
log Kp	=	-7.55
log Kp	=	-6.22
log Kp	=	-2.99
log Kp	=	-6.86
log Kp	=	-5.38
log Kp	=	-8.57

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: CHEMBL949565

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2008
Volume: 51
Issue: 13
First Page: 3720
Last Page: 3730
DOI: 10.1021/jm701549s

Standard Type	Standard Relation	Standard Value
LogP	=	-0.41
LogP	=	1.43
LogP	=	0.99
LogP	=	1.12
LogP	=	2.03

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

来源：ChEMBL 靶标：Carbonic anhydrase 4

External ID: CHEMBL2045823

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: Eur. J. Med. Chem.
Year: 2012
Volume: 54
First Page: 423
Last Page: 428
DOI: 10.1016/j.ejmech.2012.05.025

Target ChEMBL ID: CHEMBL3729
ChEMBL Target Name: Carbonic anhydrase IV
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
6.48	Ki	=	6480	nM
7.64	Ki	=	7640	nM
17.48	Ki	=	17480	nM
1.84	Ki	=	1840	nM
46.35	Ki	=	46350	nM
48.73	Ki	=	48730	nM
32.72	Ki	=	32720	nM
30.78	Ki	=	30780	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: CHEMBL949564

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2008
Volume: 51
Issue: 13
First Page: 3720
Last Page: 3730
DOI: 10.1021/jm701549s

Standard Type	Standard Relation	Standard Value
LogD	=	0.34
LogD	=	0.98
LogD	=	-0.48
LogD	=	-0.83
LogD	=	0.97
LogD	=	0.66
LogD	=	1.35
LogD	=	0.91
LogD	=	0.96
LogD	=	1.9
LogD	=	1.99
LogD	=	0
LogD	=	0.47
LogD	=	0.66
LogD	=	-0.89
LogD	=	-0.15
LogD	=	0.75
LogD	=	-0.15
LogD	=	-0.6
LogD	=	0.52

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: CHEMBL949566

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2008
Volume: 51
Issue: 13
First Page: 3720
Last Page: 3730
DOI: 10.1021/jm701549s

Standard Type	Standard Relation	Standard Value
LogP	=	-0.42
LogP	=	1.44
LogP	=	0.99
LogP	=	1.12
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: CHEMBL3789855

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2016
Volume: 114
First Page: 209
Last Page: 219
DOI: 10.1016/j.ejmech.2016.03.008

Standard Type	Standard Relation	Standard Value
FC	=	2
FC	=	10
FC	=	3
FC	=	4
FC	=	4
FC	=	2
FC	=	2
FC	=	3
FC	=	2
FC	=	5
FC	=	6
FC	=	10
FC	=	3
FC	=	12
FC	=	6
FC	=	10
FC	=	2
FC	=	7
FC	=	5
FC	=	8

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: CHEMBL3789854

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2016
Volume: 114
First Page: 209
Last Page: 219
DOI: 10.1016/j.ejmech.2016.03.008

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
MHC	=	10	ug
MHC	=	50	ug
MHC	=	15	ug
MHC	=	20	ug
MHC	=	20	ug
MHC	=	10	ug
MHC				Not Active
MHC	=	10	ug
MHC	=	15	ug
MHC	=	10	ug
MHC	=	25	ug
MHC	=	30	ug
MHC				Not Active
MHC	=	50	ug
MHC	=	15	ug
MHC				Not Active
MHC	=	60	ug
MHC	=	30	ug
MHC	=	50	ug
MHC	=	10	ug

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: CHEMBL3789852

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2016
Volume: 114
First Page: 209
Last Page: 219
DOI: 10.1016/j.ejmech.2016.03.008

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
LD50				Not Active
LD50	=	9	ug
LD50	=	3	ug
LD50				Not Active
LD50	=	9	ug
LD50				Not Active
LD50				Not Active
LD50				Not Active
LD50	=	9	ug
LD50				Not Active
LD50				Not Active
LD50	=	9	ug
LD50				Not Active
LD50	=	9	ug
LD50				Not Active
LD50				Not Active
LD50	=	3	ug
LD50	=	3	ug
LD50	=	3	ug
LD50	=	6	ug

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: CHEMBL3789859

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2016
Volume: 114
First Page: 209
Last Page: 219
DOI: 10.1016/j.ejmech.2016.03.008

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
LD50				Not Active
LD50	=	10	ug
LD50				Not Active
LD50				Not Active
LD50	=	10	ug
LD50				Not Active
LD50				Not Active
LD50				Not Active
LD50				Not Active
LD50				Not Active
LD50				Not Active
LD50	=	10	ug
LD50				Not Active
LD50	=	10	ug
LD50				Not Active
LD50				Not Active
LD50				Not Active
LD50				Not Active
LD50	=	8	ug
LD50				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：N/A

External ID: CHEMBL633176

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 262
Last Page: 270
DOI: 10.1021/jm00135a006

Standard Type	Standard Relation	Standard Value
LogD	=	1.396
LogD	=	1.05
LogD	=	0.353

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: CHEMBL3789857

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2016
Volume: 114
First Page: 209
Last Page: 219
DOI: 10.1016/j.ejmech.2016.03.008

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
LD50				Not Active
LD50	=	150	ug
LD50	=	50	ug
LD50				Not Active
LD50	=	150	ug
LD50				Not Active
LD50				Not Active
LD50				Not Active
LD50	=	100	ug
LD50				Not Active
LD50				Not Active
LD50	=	150	ug
LD50	=	50	ug
LD50	=	150	ug
LD50				Not Active
LD50				Not Active
LD50	=	50	ug
LD50	=	50	ug
LD50	=	100	ug
LD50	=	100	ug

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: CHEMBL3256049

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	=	-1.69
LogP	=	0.11
LogP	=	0.88
LogP	=	1.18
LogP	=	1.42
LogP	=	0.46
LogP	=	0.36
LogP	=	3.61
LogP	=	3.46
LogP	=	2.85
LogP	=	0.33
LogP	=	2.93
LogP	=	2.71
LogP	=	2.79
LogP	=	3.41
LogP	=	2.8
LogP	=	3.12
LogP	=	-2.24
LogP	=	-0.6
LogP	=	0.14

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: CHEMBL3789856

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2016
Volume: 114
First Page: 209
Last Page: 219
DOI: 10.1016/j.ejmech.2016.03.008

Standard Type	Standard Relation	Standard Value
LogP	=	1.24
LogP	=	0.97
LogP	=	2.39
LogP	=	1.15
LogP	=	1.48
LogP	=	1.87
LogP	=	1.76
LogP	=	1.47
LogP	=	1.44
LogP	=	1.15
LogP	=	1.48
LogP	=	1.48
LogP	=	1.47
LogP	=	3.19
LogP	=	1.19
LogP	=	1.47
LogP	=	2
LogP	=	1.15
LogP	=	1.19
LogP	=	1.15

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: CHEMBL3256051

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
pKHB	=	-0.84
pKHB	=	-0.8
pKHB	=	-1.12
pKHB	=	0.73
pKHB	=	0.79
pKHB	=	1.13
pKHB	=	-0.29
pKHB	=	0.8
pKHB	=	-0.36
pKHB	=	0.02
pKHB	=	1.56
pKHB	=	1.05
pKHB	=	0.45
pKHB	=	-0.34
pKHB	=	2.22
pKHB	=	2
pKHB	=	0.22
pKHB	=	2.21

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: CHEMBL3789862

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2016
Volume: 114
First Page: 209
Last Page: 219
DOI: 10.1016/j.ejmech.2016.03.008

Standard Type	Standard Relation	Standard Value
FC	=	2
FC	=	2
FC	=	2
FC	=	2
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	2
FC	=	3
FC	=	1
FC	=	2
FC	=	2
FC	=	1
FC	=	4
FC	=	3
FC	=	1
FC	=	1
FC	=	3
FC	=	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: 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: CHEMBL636305

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 262
Last Page: 270
DOI: 10.1021/jm00135a006

Standard Type	Standard Relation	Standard Value
Log k'	=	1.593
Log k'	=	2.58
Log k'	=	1.725
Log k'	=	0.767
Log k'	=	0.108
Log k'	=	-0.087
Log k'	=	0.074
Log k'	=	1.749
Log k'	=	1.61
Log k'	=	0.57
Log k'	=	0.901
Log k'	=	0.885
Log k'	=	1.447
Log k'	=	1.64
Log k'	=	0.808
Log k'	=	1.11
Log k'	=	0.214
Log k'	=	0.769

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

来源：ChEMBL 靶标：Carbonic anhydrase 6

External ID: CHEMBL2045824

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: Eur. J. Med. Chem.
Year: 2012
Volume: 54
First Page: 423
Last Page: 428
DOI: 10.1016/j.ejmech.2012.05.025

Target ChEMBL ID: CHEMBL3025
ChEMBL Target Name: Carbonic anhydrase VI
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
13.692	Ki	=	13692	nM
29.138	Ki	=	29138	nM
3.41	Ki	=	3410	nM
29.67	Ki	=	29670	nM
382.473	Ki	=	382473	nM	Outside typical range
45.36	Ki	=	45360	nM
28.17	Ki	=	28170	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: CHEMBL3789861

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2016
Volume: 114
First Page: 209
Last Page: 219
DOI: 10.1016/j.ejmech.2016.03.008

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
MHC	=	10	ug
MHC	=	10	ug
MHC	=	10	ug
MHC	=	10	ug
MHC	=	5	ug
MHC	=	5	ug
MHC				Not Active
MHC	=	5	ug
MHC	=	5	ug
MHC	=	10	ug
MHC	=	15	ug
MHC	=	5	ug
MHC	=	10	ug
MHC	=	10	ug
MHC	=	5	ug
MHC				Not Active
MHC	=	20	ug
MHC	=	15	ug
MHC	=	5	ug
MHC	=	5	ug

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: CHEMBL633180

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 262
Last Page: 270
DOI: 10.1021/jm00135a006

Standard Type	Standard Relation	Standard Value
LogD	=	1.663
LogD	=	0.466
LogD	=	1.563
LogD	=	0.872

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: CHEMBL636307

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 262
Last Page: 270
DOI: 10.1021/jm00135a006

Standard Type	Standard Relation	Standard Value
Log k'	=	1.479
Log k'	=	0.036
Log k'	=	0.334
Log k'	=	0.773
Log k'	=	0.118
Log k'	=	0.273
Log k'	=	0.264
Log k'	=	0.775
Log k'	=	1.658
Log k'	=	0.805
Log k'	=	1.059
Log k'	=	0.915
Log k'	=	-0.084
Log k'	=	0.673

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: CHEMBL637347

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 1
First Page: 151
Last Page: 159
DOI: 10.1021/jm010289a

Standard Type	Standard Relation	Standard Value
LogP	=	1.49
LogP	=	-2.67
LogP	=	-1.76
LogP	=	-1.04
LogP	=	-2.33
LogP	=	1.43
LogP	=	0.94
LogP	=	2.06
LogP	=	-2.52
LogP	=	-3.14
LogP	=	-0.77
LogP	=	-0.34
LogP	=	2.59
LogP	=	-0.9
LogP	=	-2.72
LogP	=	2.32
LogP	=	0.51
LogP	=	-1.95
LogP	=	-1.56
LogP	=	-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: CHEMBL636309

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 262
Last Page: 270
DOI: 10.1021/jm00135a006

Standard Type	Standard Relation	Standard Value
Log k'	=	1.041
Log k'	=	0.005
Log k'	=	-0.329
Log k'	=	1.022
Log k'	=	0.021
Log k'	=	0.353
Log k'	=	0.381
Log k'	=	1.264
Log k'	=	0.685
Log k'	=	1.389
Log k'	=	1.063
Log k'	=	1.005
Log k'	=	0.501
Log k'	=	-0.312
Log k'	=	0.483

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: CHEMBL637348

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 1
First Page: 151
Last Page: 159
DOI: 10.1021/jm010289a

Standard Type	Standard Relation	Standard Value
LogP	=	2.87
LogP	=	0.67
LogP	=	1.13
LogP	=	1.5
LogP	=	-0.09
LogP	=	1.84
LogP	=	1.56
LogP	=	2.11
LogP	=	0.15
LogP	=	0.33
LogP	=	1.12
LogP	=	2.51
LogP	=	3.11
LogP	=	0.63
LogP	=	0.32
LogP	=	2.98
LogP	=	1.35
LogP	=	1.07
LogP	=	0.33
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: CHEMBL706713

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1991
Volume: 34
Issue: 5
First Page: 1668
Last Page: 1674
DOI: 10.1021/jm00109a021

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
484172	LC50	=	4.8417236758E8	nM	Outside typical range
554626	LC50	=	5.5462571296E8	nM	Outside typical range
687068	LC50	=	6.8706844001E8	nM	Outside typical range
10666	LC50	=	1.066596121E7	nM	Outside typical range
545758	LC50	=	5.4575786109E8	nM	Outside typical range
818465	LC50	=	8.1846478813E8	nM	Outside typical range
21727	LC50	=	2.172701179E7	nM	Outside typical range
382825	LC50	=	3.8282474332E8	nM	Outside typical range
495450	LC50	=	4.954501908E8	nM	Outside typical range
15310.9	LC50	=	1.531087462E7	nM	Outside typical range
509331	LC50	=	5.0933087106E8	nM	Outside typical range
97274.7	LC50	=	9.727472238E7	nM	Outside typical range
9885.53	LC50	=	9885530.95	nM
18967.1	LC50	=	1.896705921E7	nM	Outside typical range
43752.2	LC50	=	4.375221052E7	nM	Outside typical range
218776	LC50	=	2.1877616239E8	nM	Outside typical range
254683	LC50	=	2.5468302526E8	nM	Outside typical range
202302	LC50	=	2.0230191787E8	nM	Outside typical range
181552	LC50	=	1.8155156628E8	nM	Outside typical range
497737	LC50	=	4.9773708498E8	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: CHEMBL636312

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 262
Last Page: 270
DOI: 10.1021/jm00135a006

Standard Type	Standard Relation	Standard Value
Log k'	=	0.818
Log k'	=	1.136
Log k'	=	0.447
Log k'	=	0.329
Log k'	=	1.656
Log k'	=	0.007
Log k'	=	1.516
Log k'	=	0.927
Log k'	=	1.027
Log k'	=	0.028
Log k'	=	0.352
Log k'	=	0.332
Log k'	=	1.172
Log k'	=	0.297
Log k'	=	1.501
Log k'	=	0.007
Log k'	=	0.996
Log k'	=	1.307
Log k'	=	1.064
Log k'	=	0.632

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: CHEMBL636314

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 262
Last Page: 270
DOI: 10.1021/jm00135a006

Standard Type	Standard Relation	Standard Value
Log k'	=	1.269
Log k'	=	1.734
Log k'	=	0.883
Log k'	=	0.761
Log k'	=	2.144
Log k'	=	0.401
Log k'	=	0.273
Log k'	=	1.999
Log k'	=	1.351
Log k'	=	1.631
Log k'	=	0.602
Log k'	=	0.946
Log k'	=	0.928
Log k'	=	1.67
Log k'	=	1.049
Log k'	=	2.146
Log k'	=	0.234
Log k'	=	1.669
Log k'	=	1.916
Log k'	=	1.651

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：N/A

External ID: CHEMBL948522

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2008
Volume: 51
Issue: 13
First Page: 3720
Last Page: 3730
DOI: 10.1021/jm701549s

Standard Type	Standard Relation	Standard Value
LogD	=	1.44
LogD	=	2.09
LogD	=	0.64
LogD	=	1.55
LogD	=	1.99
LogD	=	2.24
LogD	=	1.83
LogD	=	1.56
LogD	=	1.61
LogD	=	2.15
LogD	=	3.49
LogD	=	1.25
LogD	=	1.31
LogD	=	2.1
LogD	=	1.34
LogD	=	1.32
LogD	=	2.41
LogD	=	1.52
LogD	=	1.32
LogD	=	1.23

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: CHEMBL633689

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 262
Last Page: 270
DOI: 10.1021/jm00135a006

Standard Type	Standard Relation	Standard Value
Log k'	=	1.88
Log k'	=	2.086

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

来源：ChEMBL 靶标：Estrogen receptor

External ID: CHEMBL1941569

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2012
Volume: 22
Issue: 1
First Page: 154
Last Page: 163
DOI: 10.1016/j.bmcl.2011.11.041

Target ChEMBL ID: CHEMBL206
ChEMBL Target Name: Estrogen receptor alpha
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	=	48.44	%
Activity	=	70	%
Activity	=	141.67	%
Activity	=	58.49	%
Activity	=	64.78	%
Activity	=	52.2	%
Activity	=	62.16	%
Activity	=	100	%
Activity	=	36.36	%
Activity	=	24.73	%
Activity	=	12	%
Activity	=	45.15	%
Activity	=	60.45	%
Activity	=	14.91	%
Activity	=	92.19	%
Activity	=	79.69	%
Activity	=	22.91	%
Activity	=	113.51	%
Activity	=	34.7	%
Activity	=	40.3	%

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

来源：ChEMBL 靶标：Estrogen receptor

External ID: CHEMBL1941568

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2012
Volume: 22
Issue: 1
First Page: 154
Last Page: 163
DOI: 10.1016/j.bmcl.2011.11.041

Target ChEMBL ID: CHEMBL206
ChEMBL Target Name: Estrogen receptor alpha
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	=	71.77	%
Activity	=	76.81	%
Activity	=	234.78	%
Activity	=	51.41	%
Activity	=	46.89	%
Activity	=	71.19	%
Activity	=	2.78	%
Activity	=	91.35	%
Activity	=	37.3	%
Activity	=	20	%
Activity	=	25.95	%
Activity	=	38.56	%
Activity	=	75.42	%
Activity	=	55.14	%
Activity	=	63.71	%
Activity	=	1.61	%
Activity	=	25.95	%
Activity	=	98.61	%
Activity	=	34.75	%
Activity	=	47.03	%

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：N/A

External ID: CHEMBL3789850

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2016
Volume: 114
First Page: 209
Last Page: 219
DOI: 10.1016/j.ejmech.2016.03.008

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
LD50				Not Active
LD50	=	25	ug
LD50	=	6	ug
LD50				Not Active
LD50	=	22	ug
LD50				Not Active
LD50				Not Active
LD50				Not Active
LD50	=	25	ug
LD50				Not Active
LD50				Not Active
LD50	=	22	ug
LD50				Not Active
LD50	=	22	ug
LD50				Not Active
LD50				Not Active
LD50	=	6	ug
LD50	=	6	ug
LD50	=	6	ug
LD50	=	18	ug

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: CHEMBL3871080

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 2
First Page: 319
Last Page: 322
DOI: 10.1016/j.bmcl.2016.11.048

Standard Type	Standard Relation	Standard Value
LogD	=	1.2
LogD	=	1.3
LogD	=	1.3
LogD	=	4
LogD	=	2.9
LogD	=	1.7
LogD	=	0.3
LogD	=	3.4
LogD	=	2.3
LogD	=	1.8
LogD	=	3.3
LogD	=	4.5
LogD	=	3.1
LogD	=	1.8

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: CHEMBL3871081

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 2
First Page: 319
Last Page: 322
DOI: 10.1016/j.bmcl.2016.11.048

Standard Type	Standard Relation	Standard Value
LogP	=	1
LogP	=	1.8
LogP	=	1.5
LogP	=	1.3
LogP	=	4
LogP	=	2.8
LogP	=	1.6
LogP	=	1.7
LogP	=	0.3
LogP	=	3.6
LogP	=	1.8
LogP	=	2.1
LogP	=	2.1
LogP	=	1.9
LogP	=	1.1
LogP	=	3.3
LogP	=	4.2
LogP	=	4.5
LogP	=	3.2
LogP	=	1.6

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: CHEMBL858647

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1991
Volume: 34
Issue: 5
First Page: 1668
Last Page: 1674
DOI: 10.1021/jm00109a021

Standard Type	Standard Relation	Standard Value
Log C	=	-1.502
Log C	=	-0.924
Log C	=	-1.463
Log C	=	-1.021
Log C	=	0.17
Log C	=	-0.484
Log C	=	-1.08
Log C	=	-2.891
Log C	=	1.401
Log C	=	-4.225
Log C	=	-2.905
Log C	=	-2.493
Log C	=	-2.649
Log C	=	-2.374
Log C	=	-1.429
Log C	=	-0.977
Log C	=	-1.389
Log C	=	-3.148
Log C	=	-3.574
Log C	=	-2.374

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: CHEMBL3871079

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 2
First Page: 319
Last Page: 322
DOI: 10.1016/j.bmcl.2016.11.048

Standard Type	Standard Relation	Standard Value	Activity Comment
LogD	=	0.7
LogD	=	1.5
LogD	=	1.2
LogD	=	0.8
LogD	=	0.2
LogD	=	-0.3
LogD	=	2.6
LogD	=	1.6
LogD	=	1.7
LogD	=	0.4
LogD	=	3.3
LogD	=	1.8
LogD	=	2.3
LogD	=	1.9
LogD	=	2
LogD	=	0.9
LogD	=	3.1
LogD	=	3.5
LogD			Not Determined
LogD	=	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: CHEMBL635962

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 262
Last Page: 270
DOI: 10.1021/jm00135a006

Standard Type	Standard Relation	Standard Value
LogD	=	2.49
LogD	=	3.24
LogD	=	2.993
LogD	=	1.98
LogD	=	1.911
LogD	=	3.221
LogD	=	1.45
LogD	=	1.647
LogD	=	1.38
LogD	=	3.11
LogD	=	2.48
LogD	=	2.873
LogD	=	1.88
LogD	=	2.13
LogD	=	2.086
LogD	=	2.83
LogD	=	2.849
LogD	=	2.313
LogD	=	3.291
LogD	=	1.471

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: CHEMBL3280750

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1976
Volume: 19
Issue: 5
First Page: 615
Last Page: 619
DOI: 10.1021/jm00227a008

Standard Type	Standard Relation	Standard Value
LogP	=	0.78
LogP	=	2.52
LogP	=	2.09
LogP	=	1.14
LogP	=	0.9
LogP	=	0.66
LogP	=	1.45
LogP	=	2.04
LogP	=	1.2
LogP	=	-0.07
LogP	=	2.84
LogP	=	2.1
LogP	=	0.26
LogP	=	3.03
LogP	=	3.39
LogP	=	2.4
LogP	=	2.81

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: CHEMBL3280749

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1976
Volume: 19
Issue: 5
First Page: 615
Last Page: 619
DOI: 10.1021/jm00227a008

Standard Type	Standard Relation	Standard Value
LogP	=	0.79
LogP	=	2.08
LogP	=	1.16
LogP	=	0.9
LogP	=	0.65
LogP	=	1.46
LogP	=	2.03
LogP	=	1.2
LogP	=	-0.07
LogP	=	2.84
LogP	=	2.11
LogP	=	0.28
LogP	=	3.4
LogP	=	2.39
LogP	=	2.846

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

Standard Type	Standard Relation	Standard Value
FC	=	2
FC	=	10
FC	=	3
FC	=	4
FC	=	4
FC	=	2
FC	=	2
FC	=	3
FC	=	2
FC	=	5
FC	=	6
FC	=	10
FC	=	3
FC	=	12
FC	=	6
FC	=	10
FC	=	2
FC	=	7
FC	=	5
FC	=	8

Standard Type	Standard Relation	Standard Value
FC	=	2
FC	=	2
FC	=	2
FC	=	2
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	2
FC	=	3
FC	=	1
FC	=	2
FC	=	2
FC	=	1
FC	=	4
FC	=	3
FC	=	1
FC	=	1
FC	=	3
FC	=	2

Standard Type	Standard Relation	Standard Value
FC	=	2
FC	=	10
FC	=	3
FC	=	4
FC	=	4
FC	=	2
FC	=	2
FC	=	3
FC	=	2
FC	=	5
FC	=	6
FC	=	10
FC	=	3
FC	=	12
FC	=	6
FC	=	10
FC	=	2
FC	=	7
FC	=	5
FC	=	8

Standard Type	Standard Relation	Standard Value
FC	=	2
FC	=	2
FC	=	2
FC	=	2
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	2
FC	=	3
FC	=	1
FC	=	2
FC	=	2
FC	=	1
FC	=	4
FC	=	3
FC	=	1
FC	=	1
FC	=	3
FC	=	2

100-66-3 靶点实验数据

Standard Type	Standard Relation	Standard Value
FC	=	2
FC	=	10
FC	=	3
FC	=	4
FC	=	4
FC	=	2
FC	=	2
FC	=	3
FC	=	2
FC	=	5
FC	=	6
FC	=	10
FC	=	3
FC	=	12
FC	=	6
FC	=	10
FC	=	2
FC	=	7
FC	=	5
FC	=	8

Standard Type	Standard Relation	Standard Value
FC	=	2
FC	=	2
FC	=	2
FC	=	2
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	2
FC	=	3
FC	=	1
FC	=	2
FC	=	2
FC	=	1
FC	=	4
FC	=	3
FC	=	1
FC	=	1
FC	=	3
FC	=	2