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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C18' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 2C18


(Homo sapiens)
BDBM50105810
PNG
(3'-Amino-biphenyl-4-sulfonic acid (3-hydroxy-propy...)
Show SMILES Nc1cccc(c1)-c1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
Show InChI InChI=1S/C24H24N4O3S/c25-21-7-4-6-20(18-21)19-10-12-23(13-11-19)32(30,31)27(16-5-17-29)24-14-15-26-28(24)22-8-2-1-3-9-22/h1-4,6-15,18,29H,5,16-17,25H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105809
PNG
(4-Amino-N-isopropyl-N-(2-phenyl-2H-pyrazol-3-yl)-b...)
Show SMILES CC(C)N(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C18H20N4O2S/c1-14(2)22(25(23,24)17-10-8-15(19)9-11-17)18-12-13-20-21(18)16-6-4-3-5-7-16/h3-14H,19H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105811
PNG
(3'-Nitro-biphenyl-4-sulfonic acid (4-hydroxy-butyl...)
Show SMILES OCCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H24N4O5S/c30-18-5-4-17-27(25-15-16-26-28(25)22-8-2-1-3-9-22)35(33,34)24-13-11-20(12-14-24)21-7-6-10-23(19-21)29(31)32/h1-3,6-16,19,30H,4-5,17-18H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105812
PNG
(3'-Nitro-biphenyl-4-sulfonic acid (2-phenyl-2H-pyr...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C21H16N4O4S/c26-25(27)19-8-4-5-17(15-19)16-9-11-20(12-10-16)30(28,29)23-21-13-14-22-24(21)18-6-2-1-3-7-18/h1-15,23H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105825
PNG
(4-Amino-N-butyl-N-(2-phenyl-2H-pyrazol-3-yl)-benze...)
Show SMILES CCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C19H22N4O2S/c1-2-3-15-22(26(24,25)18-11-9-16(20)10-12-18)19-13-14-21-23(19)17-7-5-4-6-8-17/h4-14H,2-3,15,20H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105821
PNG
(4-Amino-N-ethyl-N-(2-phenyl-2H-pyrazol-3-yl)-benze...)
Show SMILES CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C17H18N4O2S/c1-2-20(24(22,23)16-10-8-14(18)9-11-16)17-12-13-19-21(17)15-6-4-3-5-7-15/h3-13H,2,18H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105820
PNG
(4-Amino-N-benzyl-N-(2-phenyl-2H-pyrazol-3-yl)-benz...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccnn1-c1ccccc1
Show InChI InChI=1S/C22H20N4O2S/c23-19-11-13-21(14-12-19)29(27,28)25(17-18-7-3-1-4-8-18)22-15-16-24-26(22)20-9-5-2-6-10-20/h1-16H,17,23H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105808
PNG
(3'-Nitro-biphenyl-4-sulfonic acid (3-hydroxy-propy...)
Show SMILES OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H22N4O5S/c29-17-5-16-26(24-14-15-25-27(24)21-7-2-1-3-8-21)34(32,33)23-12-10-19(11-13-23)20-6-4-9-22(18-20)28(30)31/h1-4,6-15,18,29H,5,16-17H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105816
PNG
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-N-propyl-benz...)
Show SMILES CCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C18H20N4O2S/c1-2-14-21(25(23,24)17-10-8-15(19)9-11-17)18-12-13-20-22(18)16-6-4-3-5-7-16/h3-13H,2,14,19H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105817
PNG
(3'-Nitro-biphenyl-4-sulfonic acid (2-hydroxy-ethyl...)
Show SMILES OCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H20N4O5S/c28-16-15-25(23-13-14-24-26(23)20-6-2-1-3-7-20)33(31,32)22-11-9-18(10-12-22)19-5-4-8-21(17-19)27(29)30/h1-14,17,28H,15-16H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105814
PNG
(4-Amino-N-(3-methyl-butyl)-N-(2-phenyl-2H-pyrazol-...)
Show SMILES CC(C)CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C20H24N4O2S/c1-16(2)13-15-23(27(25,26)19-10-8-17(21)9-11-19)20-12-14-22-24(20)18-6-4-3-5-7-18/h3-12,14,16H,13,15,21H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105828
PNG
(4-Allyl-N-methyl-N-(2-phenyl-2H-pyrazol-3-yl)-benz...)
Show SMILES CN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(CC=C)cc1
Show InChI InChI=1S/C19H19N3O2S/c1-3-7-16-10-12-18(13-11-16)25(23,24)21(2)19-14-15-20-22(19)17-8-5-4-6-9-17/h3-6,8-15H,1,7H2,2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105824
PNG
(4,N-Dimethyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenes...)
Show SMILES CN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105818
PNG
(4-Amino-N-methyl-N-(2-phenyl-2H-pyrazol-3-yl)-benz...)
Show SMILES CN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C16H16N4O2S/c1-19(23(21,22)15-9-7-13(17)8-10-15)16-11-12-18-20(16)14-5-3-2-4-6-14/h2-12H,17H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105815
PNG
(4-Allyl-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazo...)
Show SMILES OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(CC=C)cc1
Show InChI InChI=1S/C21H23N3O3S/c1-2-7-18-10-12-20(13-11-18)28(26,27)23(16-6-17-25)21-14-15-22-24(21)19-8-4-3-5-9-19/h2-5,8-15,25H,1,6-7,16-17H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105823
PNG
(4-Methyl-N-(2-phenyl-2H-pyrazol-3-yl)-N-propyl-ben...)
Show SMILES CCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O2S/c1-3-15-21(25(23,24)18-11-9-16(2)10-12-18)19-13-14-20-22(19)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105822
PNG
(3'-Amino-biphenyl-4-sulfonic acid (2-phenyl-2H-pyr...)
Show SMILES Nc1cccc(c1)-c1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C21H18N4O2S/c22-18-6-4-5-17(15-18)16-9-11-20(12-10-16)28(26,27)24-21-13-14-23-25(21)19-7-2-1-3-8-19/h1-15,24H,22H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105819
PNG
(4-Amino-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
Show InChI InChI=1S/C18H20N4O3S/c19-15-7-9-17(10-8-15)26(24,25)21(13-4-14-23)18-11-12-20-22(18)16-5-2-1-3-6-16/h1-3,5-12,23H,4,13-14,19H2
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n/an/a 3.00E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105826
PNG
(4-(3-Amino-propyl)-N-(3-hydroxy-propyl)-N-(2-pheny...)
Show SMILES NCCCc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
Show InChI InChI=1S/C21H26N4O3S/c22-14-4-6-18-9-11-20(12-10-18)29(27,28)24(16-5-17-26)21-13-15-23-25(21)19-7-2-1-3-8-19/h1-3,7-13,15,26H,4-6,14,16-17,22H2
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n/an/a 3.00E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50090677
PNG
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
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n/an/a 6.00E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105807
PNG
(4-(2-Amino-ethyl)-N-(3-hydroxy-propyl)-N-(2-phenyl...)
Show SMILES NCCc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
Show InChI InChI=1S/C20H24N4O3S/c21-13-11-17-7-9-19(10-8-17)28(26,27)23(15-4-16-25)20-12-14-22-24(20)18-5-2-1-3-6-18/h1-3,5-10,12,14,25H,4,11,13,15-16,21H2
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n/an/a 6.50E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105813
PNG
(4-Allyl-N-benzyl-N-(2-phenyl-2H-pyrazol-3-yl)-benz...)
Show SMILES C=CCc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccnn1-c1ccccc1
Show InChI InChI=1S/C25H23N3O2S/c1-2-9-21-14-16-24(17-15-21)31(29,30)27(20-22-10-5-3-6-11-22)25-18-19-26-28(25)23-12-7-4-8-13-23/h2-8,10-19H,1,9,20H2
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n/an/a 1.25E+5n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50105827
PNG
(4-Allyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)
Show SMILES C=CCc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C18H17N3O2S/c1-2-6-15-9-11-17(12-10-15)24(22,23)20-18-13-14-19-21(18)16-7-4-3-5-8-16/h2-5,7-14,20H,1,6H2
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n/an/a 1.50E+5n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens)
BDBM50090669
PNG
(4-Methyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-11-12-17-19(16)14-5-3-2-4-6-14/h2-12,18H,1H3
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n/an/a 1.70E+5n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)

More data for this
Ligand-Target Pair