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Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50032819   
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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50125935
PNG
((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50125935
PNG
((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335342
PNG
(1-Trityl-1H-imidazole | CHEMBL1651507)
Show SMILES c1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335343
PNG
(1-(2,2,2-Triphenyl-ethyl)-1H-imidazole | CHEMBL165...)
Show SMILES C(n1ccnc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N2/c1-4-10-20(11-5-1)23(18-25-17-16-24-19-25,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,19H,18H2
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335344
PNG
(1-Pentamethylphenylmethyl-1H-imidazole | CHEMBL165...)
Show SMILES Cc1c(C)c(C)c(Cn2ccnc2)c(C)c1C
Show InChI InChI=1S/C15H20N2/c1-10-11(2)13(4)15(14(5)12(10)3)8-17-7-6-16-9-17/h6-7,9H,8H2,1-5H3
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335345
PNG
(1-Adamantan-1-ylmethyl-1H-imidazole | CHEMBL165150...)
Show SMILES C(n1ccnc1)C12CC3CC(CC(C3)C1)C2 |THB:11:10:7:13.12.14,11:12:9.10.15:7,14:12:9:15.6.7,14:6:9:13.11.12,0:6:9:13.11.12|
Show InChI InChI=1S/C14H20N2/c1-2-16(10-15-1)9-14-6-11-3-12(7-14)5-13(4-11)8-14/h1-2,10-13H,3-9H2
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335343
PNG
(1-(2,2,2-Triphenyl-ethyl)-1H-imidazole | CHEMBL165...)
Show SMILES C(n1ccnc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N2/c1-4-10-20(11-5-1)23(18-25-17-16-24-19-25,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,19H,18H2
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335342
PNG
(1-Trityl-1H-imidazole | CHEMBL1651507)
Show SMILES c1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335346
PNG
(1-Biphenyl-2-ylmethyl-1H-imidazole | CHEMBL1651496)
Show SMILES C(c1ccccc1-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C16H14N2/c1-2-6-14(7-3-1)16-9-5-4-8-15(16)12-18-11-10-17-13-18/h1-11,13H,12H2
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50028166
PNG
(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Show SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335347
PNG
(1-((4-Phenylthiophen-2-yl)methyl)-1H-imidazole | C...)
Show SMILES C(c1cc(cs1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C14H12N2S/c1-2-4-12(5-3-1)13-8-14(17-10-13)9-16-7-6-15-11-16/h1-8,10-11H,9H2
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335344
PNG
(1-Pentamethylphenylmethyl-1H-imidazole | CHEMBL165...)
Show SMILES Cc1c(C)c(C)c(Cn2ccnc2)c(C)c1C
Show InChI InChI=1S/C15H20N2/c1-10-11(2)13(4)15(14(5)12(10)3)8-17-7-6-16-9-17/h6-7,9H,8H2,1-5H3
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335348
PNG
(1-(2,4,6-Trimethyl-benzyl)-1H-imidazole | CHEMBL16...)
Show SMILES Cc1cc(C)c(Cn2ccnc2)c(C)c1
Show InChI InChI=1S/C13H16N2/c1-10-6-11(2)13(12(3)7-10)8-15-5-4-14-9-15/h4-7,9H,8H2,1-3H3
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335348
PNG
(1-(2,4,6-Trimethyl-benzyl)-1H-imidazole | CHEMBL16...)
Show SMILES Cc1cc(C)c(Cn2ccnc2)c(C)c1
Show InChI InChI=1S/C13H16N2/c1-10-6-11(2)13(12(3)7-10)8-15-5-4-14-9-15/h4-7,9H,8H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335345
PNG
(1-Adamantan-1-ylmethyl-1H-imidazole | CHEMBL165150...)
Show SMILES C(n1ccnc1)C12CC3CC(CC(C3)C1)C2 |THB:11:10:7:13.12.14,11:12:9.10.15:7,14:12:9:15.6.7,14:6:9:13.11.12,0:6:9:13.11.12|
Show InChI InChI=1S/C14H20N2/c1-2-16(10-15-1)9-14-6-11-3-12(7-14)5-13(4-11)8-14/h1-2,10-13H,3-9H2
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335349
PNG
(1-(3,5-Dimethyl-benzyl)-1H-imidazole | CHEMBL16514...)
Show SMILES Cc1cc(C)cc(Cn2ccnc2)c1
Show InChI InChI=1S/C12H14N2/c1-10-5-11(2)7-12(6-10)8-14-4-3-13-9-14/h3-7,9H,8H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335350
PNG
(1-(biphenyl-4-ylmethyl)-1H-imidazole | 1-Biphenyl-...)
Show SMILES C(c1ccc(cc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C16H14N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-11-10-17-13-18/h1-11,13H,12H2
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335346
PNG
(1-Biphenyl-2-ylmethyl-1H-imidazole | CHEMBL1651496)
Show SMILES C(c1ccccc1-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C16H14N2/c1-2-6-14(7-3-1)16-9-5-4-8-15(16)12-18-11-10-17-13-18/h1-11,13H,12H2
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n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335351
PNG
(1-(5-Phenyl-thiophen-2-ylmethyl)-1H-imidazole | CH...)
Show SMILES C(c1ccc(s1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C14H12N2S/c1-2-4-12(5-3-1)14-7-6-13(17-14)10-16-9-8-15-11-16/h1-9,11H,10H2
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50188097
PNG
(1-(4-Chlorobenzyl)-1H-imidazole | CHEMBL441367)
Show SMILES Clc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9ClN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335353
PNG
(1-(5-Phenyl-furan-2-ylmethyl)-1H-imidazole | CHEMB...)
Show SMILES C(c1ccc(o1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C14H12N2O/c1-2-4-12(5-3-1)14-7-6-13(17-14)10-16-9-8-15-11-16/h1-9,11H,10H2
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335352
PNG
(1-Biphenyl-3-ylmethyl-1H-imidazole | CHEMBL1651497)
Show SMILES C(c1cccc(c1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C16H14N2/c1-2-6-15(7-3-1)16-8-4-5-14(11-16)12-18-10-9-17-13-18/h1-11,13H,12H2
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335354
PNG
(1-(3-Methyl-benzyl)-1H-imidazole | CHEMBL1651493)
Show SMILES Cc1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C11H12N2/c1-10-3-2-4-11(7-10)8-13-6-5-12-9-13/h2-7,9H,8H2,1H3
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335355
PNG
(1-(2-Methyl-benzyl)-1H-imidazole | CHEMBL1651492)
Show SMILES Cc1ccccc1Cn1ccnc1
Show InChI InChI=1S/C11H12N2/c1-10-4-2-3-5-11(10)8-13-7-6-12-9-13/h2-7,9H,8H2,1H3
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n/an/a 61n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335355
PNG
(1-(2-Methyl-benzyl)-1H-imidazole | CHEMBL1651492)
Show SMILES Cc1ccccc1Cn1ccnc1
Show InChI InChI=1S/C11H12N2/c1-10-4-2-3-5-11(10)8-13-7-6-12-9-13/h2-7,9H,8H2,1H3
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n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |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-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50028166
PNG
(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Show SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
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n/an/a 72n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335356
PNG
(1-Adamantan-1-ylmethyl-1H-benzoimidazole | CHEMBL1...)
Show SMILES C(n1cnc2ccccc12)C12CC3CC(CC(C3)C1)C2 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16,0:10:13:17.15.16|
Show InChI InChI=1S/C18H22N2/c1-2-4-17-16(3-1)19-12-20(17)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,12-15H,5-11H2
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n/an/a 75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335349
PNG
(1-(3,5-Dimethyl-benzyl)-1H-imidazole | CHEMBL16514...)
Show SMILES Cc1cc(C)cc(Cn2ccnc2)c1
Show InChI InChI=1S/C12H14N2/c1-10-5-11(2)7-12(6-10)8-14-4-3-13-9-14/h3-7,9H,8H2,1-2H3
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n/an/a 77n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335357
PNG
(1-(3,3,3-Triphenyl-propyl)-1H-imidazole | CHEMBL16...)
Show SMILES C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C24H22N2/c1-4-10-21(11-5-1)24(22-12-6-2-7-13-22,23-14-8-3-9-15-23)16-18-26-19-17-25-20-26/h1-15,17,19-20H,16,18H2
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335358
PNG
(1-(4-Chloro-benzyl)-1H-benzoimidazole | CHEMBL1444...)
Show SMILES Clc1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C14H11ClN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2
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n/an/a 107n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335354
PNG
(1-(3-Methyl-benzyl)-1H-imidazole | CHEMBL1651493)
Show SMILES Cc1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C11H12N2/c1-10-3-2-4-11(7-10)8-13-6-5-12-9-13/h2-7,9H,8H2,1H3
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |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-/m1/s1
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n/an/a 127n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335359
PNG
(1-[1,1',3',1'']Terphenyl-5'-ylmethyl-1H-imidazole ...)
Show SMILES C(c1cc(cc(c1)-c1ccccc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H18N2/c1-3-7-19(8-4-1)21-13-18(16-24-12-11-23-17-24)14-22(15-21)20-9-5-2-6-10-20/h1-15,17H,16H2
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n/an/a 128n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM7887
PNG
(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Show SMILES C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
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n/an/a 135n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50188097
PNG
(1-(4-Chlorobenzyl)-1H-imidazole | CHEMBL441367)
Show SMILES Clc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9ClN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335360
PNG
(5-((1H-imidazol-1-yl)methyl)-2-phenylpyridine | CH...)
Show SMILES C(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C15H13N3/c1-2-4-14(5-3-1)15-7-6-13(10-17-15)11-18-9-8-16-12-18/h1-10,12H,11H2
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n/an/a 152n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335361
PNG
(1-(3,5-Dimethyl-benzyl)-1H-benzoimidazole | CHEMBL...)
Show SMILES Cc1cc(C)cc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C16H16N2/c1-12-7-13(2)9-14(8-12)10-18-11-17-15-5-3-4-6-16(15)18/h3-9,11H,10H2,1-2H3
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n/an/a 188n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335362
PNG
(1-(3-Methyl-benzyl)-1H-benzoimidazole | CHEMBL1450...)
Show SMILES Cc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C15H14N2/c1-12-5-4-6-13(9-12)10-17-11-16-14-7-2-3-8-15(14)17/h2-9,11H,10H2,1H3
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n/an/a 194n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335363
PNG
(1-Biphenyl-4-ylmethyl-1H-benzoimidazole | CHEMBL16...)
Show SMILES C(c1ccc(cc1)-c1ccccc1)n1cnc2ccccc12
Show InChI InChI=1S/C20H16N2/c1-2-6-17(7-3-1)18-12-10-16(11-13-18)14-22-15-21-19-8-4-5-9-20(19)22/h1-13,15H,14H2
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n/an/a 197n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM3787
PNG
(1-Phenylbenzimidazole deriv. 4 | 1-benzyl-1H-1,3-b...)
Show SMILES C(c1ccccc1)n1cnc2ccccc12
Show InChI InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
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n/an/a 246n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50188087
PNG
(1-(4-methyl-benzyl)-1H-imidazole | 1-(4-methylbenz...)
Show SMILES Cc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C11H12N2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13/h2-7,9H,8H2,1H3
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n/an/a 258n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335364
PNG
(1-(2-Methyl-benzyl)-1H-benzoimidazole | CHEMBL1328...)
Show SMILES Cc1ccccc1Cn1cnc2ccccc12
Show InChI InChI=1S/C15H14N2/c1-12-6-2-3-7-13(12)10-17-11-16-14-8-4-5-9-15(14)17/h2-9,11H,10H2,1H3
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n/an/a 262n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335352
PNG
(1-Biphenyl-3-ylmethyl-1H-imidazole | CHEMBL1651497)
Show SMILES C(c1cccc(c1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C16H14N2/c1-2-6-15(7-3-1)16-8-4-5-14(11-16)12-18-10-9-17-13-18/h1-11,13H,12H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335347
PNG
(1-((4-Phenylthiophen-2-yl)methyl)-1H-imidazole | C...)
Show SMILES C(c1cc(cs1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C14H12N2S/c1-2-4-12(5-3-1)13-8-14(17-10-13)9-16-7-6-15-11-16/h1-8,10-11H,9H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335357
PNG
(1-(3,3,3-Triphenyl-propyl)-1H-imidazole | CHEMBL16...)
Show SMILES C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C24H22N2/c1-4-10-21(11-5-1)24(22-12-6-2-7-13-22,23-14-8-3-9-15-23)16-18-26-19-17-25-20-26/h1-15,17,19-20H,16,18H2
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335362
PNG
(1-(3-Methyl-benzyl)-1H-benzoimidazole | CHEMBL1450...)
Show SMILES Cc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C15H14N2/c1-12-5-4-6-13(9-12)10-17-11-16-14-7-2-3-8-15(14)17/h2-9,11H,10H2,1H3
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n/an/a 309n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50188087
PNG
(1-(4-methyl-benzyl)-1H-imidazole | 1-(4-methylbenz...)
Show SMILES Cc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C11H12N2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13/h2-7,9H,8H2,1H3
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n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335359
PNG
(1-[1,1',3',1'']Terphenyl-5'-ylmethyl-1H-imidazole ...)
Show SMILES C(c1cc(cc(c1)-c1ccccc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H18N2/c1-3-7-19(8-4-1)21-13-18(16-24-12-11-23-17-24)14-22(15-21)20-9-5-2-6-10-20/h1-15,17H,16H2
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n/an/a 332n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50335351
PNG
(1-(5-Phenyl-thiophen-2-ylmethyl)-1H-imidazole | CH...)
Show SMILES C(c1ccc(s1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C14H12N2S/c1-2-4-12(5-3-1)14-7-6-13(17-14)10-16-9-8-15-11-16/h1-9,11H,10H2
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n/an/a 353n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
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