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Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'cape' and Initial = 'jl'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273790
PNG
(6-Bromo-N-(naphthalen-2-yl)-2-(pyridin-4-yl)quinol...)
Show SMILES Brc1ccc2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1ccncc1
Show InChI InChI=1S/C25H16BrN3O/c26-19-6-8-23-21(14-19)22(15-24(29-23)17-9-11-27-12-10-17)25(30)28-20-7-5-16-3-1-2-4-18(16)13-20/h1-15H,(H,28,30)
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9n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273447
PNG
(6,8-Dimethyl-N-(naphthalen-2-yl)-2-(pyridin-4-yl)q...)
Show SMILES Cc1cc(C)c2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1ccncc1
Show InChI InChI=1S/C27H21N3O/c1-17-13-18(2)26-23(14-17)24(16-25(30-26)20-9-11-28-12-10-20)27(31)29-22-8-7-19-5-3-4-6-21(19)15-22/h3-16H,1-2H3,(H,29,31)
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11n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273788
PNG
(6-Chloro-N-(naphthalen-2-yl)-2-(pyridin-4-yl)quino...)
Show SMILES Clc1ccc2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1ccncc1
Show InChI InChI=1S/C25H16ClN3O/c26-19-6-8-23-21(14-19)22(15-24(29-23)17-9-11-27-12-10-17)25(30)28-20-7-5-16-3-1-2-4-18(16)13-20/h1-15H,(H,28,30)
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12n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273785
PNG
(CHEMBL456181 | N-(Naphthalen-2-yl)-2-(pyridin-4-yl...)
Show SMILES O=C(Nc1ccc2ccccc2c1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C25H17N3O/c29-25(27-20-10-9-17-5-1-2-6-19(17)15-20)22-16-24(18-11-13-26-14-12-18)28-23-8-4-3-7-21(22)23/h1-16H,(H,27,29)
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33n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273444
PNG
(CHEMBL463976 | N-Phenyl-2-(pyridin-4-yl)quinoline-...)
Show SMILES O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C21H15N3O/c25-21(23-16-6-2-1-3-7-16)18-14-20(15-10-12-22-13-11-15)24-19-9-5-4-8-17(18)19/h1-14H,(H,23,25)
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100n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273393
PNG
(CHEMBL514730 | N-(Naphthalen-1-ylmethyl)-2-(pyridi...)
Show SMILES O=C(NCc1cccc2ccccc12)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C26H19N3O/c30-26(28-17-20-8-5-7-18-6-1-2-9-21(18)20)23-16-25(19-12-14-27-15-13-19)29-24-11-4-3-10-22(23)24/h1-16H,17H2,(H,28,30)
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113n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of purified CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273393
PNG
(CHEMBL514730 | N-(Naphthalen-1-ylmethyl)-2-(pyridi...)
Show SMILES O=C(NCc1cccc2ccccc12)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C26H19N3O/c30-26(28-17-20-8-5-7-18-6-1-2-9-21(18)20)23-16-25(19-12-14-27-15-13-19)29-24-11-4-3-10-22(23)24/h1-16H,17H2,(H,28,30)
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125n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273394
PNG
(CHEMBL463577 | N-(Naphthalen-1-ylmethyl)-2-(pyridi...)
Show SMILES O=C(NCc1cccc2ccccc12)c1cc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C26H19N3O/c30-26(28-17-19-9-5-8-18-7-1-2-11-21(18)19)23-15-25(20-10-6-14-27-16-20)29-24-13-4-3-12-22(23)24/h1-16H,17H2,(H,28,30)
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152n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273786
PNG
(CHEMBL456182 | N-(Naphthalen-2-yl)-2-(pyridin-3-yl...)
Show SMILES O=C(Nc1ccc2ccccc2c1)c1cc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C25H17N3O/c29-25(27-20-12-11-17-6-1-2-7-18(17)14-20)22-15-24(19-8-5-13-26-16-19)28-23-10-4-3-9-21(22)23/h1-16H,(H,27,29)
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1.15E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273819
PNG
(CHEMBL456185 | N-(Naphthalen-1-yl)-2-(pyridin-3-yl...)
Show SMILES O=C(Nc1cccc2ccccc12)c1cc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C25H17N3O/c29-25(28-22-13-5-8-17-7-1-2-10-19(17)22)21-15-24(18-9-6-14-26-16-18)27-23-12-4-3-11-20(21)23/h1-16H,(H,28,29)
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1.25E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273820
PNG
(CHEMBL515841 | N-(Naphthalen-1-yl)-2-(pyridin-2-yl...)
Show SMILES O=C(Nc1cccc2ccccc12)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C25H17N3O/c29-25(28-21-14-7-9-17-8-1-2-10-18(17)21)20-16-24(23-13-5-6-15-26-23)27-22-12-4-3-11-19(20)22/h1-16H,(H,28,29)
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1.32E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273789
PNG
(6-Chloro-N-(naphthalen-2-yl)-2-(pyridin-3-yl)quino...)
Show SMILES Clc1ccc2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1cccnc1
Show InChI InChI=1S/C25H16ClN3O/c26-19-8-10-23-21(13-19)22(14-24(29-23)18-6-3-11-27-15-18)25(30)28-20-9-7-16-4-1-2-5-17(16)12-20/h1-15H,(H,28,30)
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1.89E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273446
PNG
(CHEMBL513115 | N-Phenyl-2-(pyridin-2-yl)quinoline-...)
Show SMILES O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H15N3O/c25-21(23-15-8-2-1-3-9-15)17-14-20(19-12-6-7-13-22-19)24-18-11-5-4-10-16(17)18/h1-14H,(H,23,25)
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3.47E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273782
PNG
((2-(Pyridin-4-yl)quinolin-4-yl)(4-(pyrrolidin-1-yl...)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C24H26N4O/c29-24(28-15-9-19(10-16-28)27-13-3-4-14-27)21-17-23(18-7-11-25-12-8-18)26-22-6-2-1-5-20(21)22/h1-2,5-8,11-12,17,19H,3-4,9-10,13-16H2
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3.67E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273445
PNG
(CHEMBL464389 | N-Phenyl-2-(pyridin-3-yl)quinoline-...)
Show SMILES O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H15N3O/c25-21(23-16-8-2-1-3-9-16)18-13-20(15-7-6-12-22-14-15)24-19-11-5-4-10-17(18)19/h1-14H,(H,23,25)
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4.06E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273448
PNG
(6,8-Dimethyl-N-(naphthalen-2-yl)-2-(pyridin-3-yl)q...)
Show SMILES Cc1cc(C)c2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1cccnc1
Show InChI InChI=1S/C27H21N3O/c1-17-12-18(2)26-23(13-17)24(15-25(30-26)21-8-5-11-28-16-21)27(31)29-22-10-9-19-6-3-4-7-20(19)14-22/h3-16H,1-2H3,(H,29,31)
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8.55E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273712
PNG
(CHEMBL457021 | Piperidin-1-yl(2-(pyridin-3-yl)quin...)
Show SMILES O=C(N1CCCCC1)c1cc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H19N3O/c24-20(23-11-4-1-5-12-23)17-13-19(15-7-6-10-21-14-15)22-18-9-3-2-8-16(17)18/h2-3,6-10,13-14H,1,4-5,11-12H2
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9.74E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273711
PNG
(CHEMBL511703 | Piperidin-1-yl(2-(pyridin-4-yl)quin...)
Show SMILES O=C(N1CCCCC1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C20H19N3O/c24-20(23-12-4-1-5-13-23)17-14-19(15-8-10-21-11-9-15)22-18-7-3-2-6-16(17)18/h2-3,6-11,14H,1,4-5,12-13H2
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9.94E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273392
PNG
(CHEMBL456998 | N-(Naphthalen-2-yl)-2-(pyridin-2-yl...)
Show SMILES O=C(Nc1ccc2ccccc2c1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C25H17N3O/c29-25(27-19-13-12-17-7-1-2-8-18(17)15-19)21-16-24(23-11-5-6-14-26-23)28-22-10-4-3-9-20(21)22/h1-16H,(H,27,29)
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1.07E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273787
PNG
(6,8-Dimethyl-N-(naphthalen-2-yl)-2-(pyridin-2-yl)q...)
Show SMILES Cc1cc(C)c2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1ccccn1
Show InChI InChI=1S/C27H21N3O/c1-17-13-18(2)26-22(14-17)23(16-25(30-26)24-9-5-6-12-28-24)27(31)29-21-11-10-19-7-3-4-8-20(19)15-21/h3-16H,1-2H3,(H,29,31)
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>2.06E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273713
PNG
(CHEMBL511852 | Piperidin-1-yl(2-(pyridin-2-yl)quin...)
Show SMILES O=C(N1CCCCC1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H19N3O/c24-20(23-12-6-1-7-13-23)16-14-19(18-10-4-5-11-21-18)22-17-9-3-2-8-15(16)17/h2-5,8-11,14H,1,6-7,12-13H2
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2.36E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273783
PNG
((2-(Pyridin-3-yl)quinolin-4-yl)(4-(pyrrolidin-1-yl...)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1cc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C24H26N4O/c29-24(28-14-9-19(10-15-28)27-12-3-4-13-27)21-16-23(18-6-5-11-25-17-18)26-22-8-2-1-7-20(21)22/h1-2,5-8,11,16-17,19H,3-4,9-10,12-15H2
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2.41E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273818
PNG
(6-Bromo-N-(naphthalen-2-yl)-2-(pyridin-3-yl)quinol...)
Show SMILES Brc1ccc2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1cccnc1
Show InChI InChI=1S/C25H16BrN3O/c26-19-8-10-23-21(13-19)22(14-24(29-23)18-6-3-11-27-15-18)25(30)28-20-9-7-16-4-1-2-5-17(16)12-20/h1-15H,(H,28,30)
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>3.79E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273395
PNG
(CHEMBL463774 | N-(Naphthalen-1-ylmethyl)-2-(pyridi...)
Show SMILES O=C(NCc1cccc2ccccc12)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C26H19N3O/c30-26(28-17-19-10-7-9-18-8-1-2-11-20(18)19)22-16-25(24-14-5-6-15-27-24)29-23-13-4-3-12-21(22)23/h1-16H,17H2,(H,28,30)
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>4.35E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273784
PNG
((2-(Pyridin-2-yl)quinolin-4-yl)(4-(pyrrolidin-1-yl...)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C24H26N4O/c29-24(28-15-10-18(11-16-28)27-13-5-6-14-27)20-17-23(22-9-3-4-12-25-22)26-21-8-2-1-7-19(20)21/h1-4,7-9,12,17-18H,5-6,10-11,13-16H2
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7.62E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair