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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'lafite' and Initial = 'p'   
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 2J2


(Homo sapiens (Human))
BDBM50183079
PNG
(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...)
Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3
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160n/an/an/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183075
PNG
(1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...)
Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2
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n/an/a 400n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183079
PNG
(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...)
Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3
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n/an/a 400n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183085
PNG
(1-(4-ethylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...)
Show SMILES CCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H35NO2/c1-2-24-15-17-25(18-16-24)29(32)14-9-21-31-22-19-28(20-23-31)30(33,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28,33H,2,9,14,19-23H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183084
PNG
(CHEMBL205154 | terfenadone)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29,35H,10,15,20-24H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183082
PNG
(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-p-to...)
Show SMILES Cc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33NO2/c1-23-14-16-24(17-15-23)28(31)13-8-20-30-21-18-27(19-22-30)29(32,25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-17,27,32H,8,13,18-22H2,1H3
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n/an/a 700n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183080
PNG
(1-(4-butylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...)
Show SMILES CCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO2/c1-2-3-11-26-17-19-27(20-18-26)31(34)16-10-23-33-24-21-30(22-25-33)32(35,28-12-6-4-7-13-28)29-14-8-5-9-15-29/h4-9,12-15,17-20,30,35H,2-3,10-11,16,21-25H2,1H3
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n/an/a 700n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183077
PNG
(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-(...)
Show SMILES OCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-23-19-24-13-15-25(16-14-24)29(33)12-7-20-31-21-17-28(18-22-31)30(34,26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-11,13-16,28,32,34H,7,12,17-23H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183078
PNG
(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-(...)
Show SMILES OCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H37NO3/c33-24-8-9-25-15-17-26(18-16-25)30(34)14-7-21-32-22-19-29(20-23-32)31(35,27-10-3-1-4-11-27)28-12-5-2-6-13-28/h1-6,10-13,15-18,29,33,35H,7-9,14,19-24H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183076
PNG
(1-(4-(2,2-difluoroethyl)phenyl)-4-(4-(hydroxydiphe...)
Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC(F)F)cc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33F2NO2/c31-29(32)22-23-13-15-24(16-14-23)28(34)12-7-19-33-20-17-27(18-21-33)30(35,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-11,13-16,27,29,35H,7,12,17-22H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183086
PNG
(3-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)b...)
Show SMILES CC(=O)OCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H39NO4/c1-26(35)38-25-9-10-27-16-18-28(19-17-27)32(36)15-8-22-34-23-20-31(21-24-34)33(37,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,31,37H,8-10,15,20-25H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183081
PNG
(1-(4-bromophenyl)-4-(4-(hydroxydiphenylmethyl)pipe...)
Show SMILES OC(C1CCN(CCCC(=O)c2ccc(Br)cc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30BrNO2/c29-26-15-13-22(14-16-26)27(31)12-7-19-30-20-17-25(18-21-30)28(32,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-16,25,32H,7,12,17-21H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50183075
PNG
(1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...)
Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183087
PNG
(1-(benzo[d][1,3]dioxol-5-yl)-4-(4-(hydroxydiphenyl...)
Show SMILES OC(C1CCN(CCCC(=O)c2ccc3OCOc3c2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-26(22-13-14-27-28(20-22)34-21-33-27)12-7-17-30-18-15-25(16-19-30)29(32,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-14,20,25,32H,7,12,15-19,21H2
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n/an/a 6.70E+3n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50183083
PNG
(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-m...)
Show SMILES COc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c1-33-27-16-14-23(15-17-27)28(31)13-8-20-30-21-18-26(19-22-30)29(32,24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-12,14-17,26,32H,8,13,18-22H2,1H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50183079
PNG
(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...)
Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50017376
PNG
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50183075
PNG
(1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...)
Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2B6


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50183075
PNG
(1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...)
Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50183079
PNG
(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...)
Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50183079
PNG
(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...)
Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2B6


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50183079
PNG
(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...)
Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50183075
PNG
(1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...)
Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universite Paris 5 René Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8


Bioorg Med Chem Lett 16: 2777-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.004
BindingDB Entry DOI: 10.7270/Q21Z440R
More data for this
Ligand-Target Pair
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |t:9|
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/an/a 340n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 125 (CYP125)


(Mycobacterium tuberculosis)
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |t:9|
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM92505
PNG
(4-Cholesten-3-one | Steroid scaffold, 14)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:15|
Show InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
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Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 125 (CYP125)


(Mycobacterium tuberculosis)
BDBM92505
PNG
(4-Cholesten-3-one | Steroid scaffold, 14)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:15|
Show InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
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Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM24656
PNG
(4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...)
Show SMILES c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 125 (CYP125)


(Mycobacterium tuberculosis)
BDBM24656
PNG
(4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...)
Show SMILES c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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n/an/an/a 2.16E+5n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 144 (CYP144)


(Mycobacterium tuberculosis)
BDBM24656
PNG
(4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...)
Show SMILES c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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n/an/an/a 2.80E+5n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 125 (CYP125)


(Mycobacterium tuberculosis)
BDBM50127138
PNG
(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Show SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
Show InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
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n/an/an/a 3.02E+4n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 144 (CYP144)


(Mycobacterium tuberculosis)
BDBM50333117
PNG
((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r|
Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
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n/an/an/a 1.74E+5n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM25817
PNG
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
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n/an/an/a 8.60E+5n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 125 (CYP125)


(Mycobacterium tuberculosis)
BDBM25817
PNG
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
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n/an/an/a 4.31E+4n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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n/an/an/a 2.10E+4n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 125 (CYP125)


(Mycobacterium tuberculosis)
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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n/an/an/a 2.71E+4n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 144 (CYP144)


(Mycobacterium tuberculosis)
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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n/an/an/a 1.34E+5n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
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n/an/an/a 4.00E+3n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 125 (CYP125)


(Mycobacterium tuberculosis)
BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
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n/an/an/a 4.60E+3n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 144 (CYP144)


(Mycobacterium tuberculosis)
BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
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n/an/an/a 980n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/an/a 3.80E+3n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 125 (CYP125)


(Mycobacterium tuberculosis)
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/an/a 5.30E+3n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 144 (CYP144)


(Mycobacterium tuberculosis)
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/an/a 370n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/a 4.60E+3n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 144 (CYP144)


(Mycobacterium tuberculosis)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/a 780n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 125 (CYP125)


(Mycobacterium tuberculosis)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/a 1.17E+4n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair