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Compile Data Set for Download or QSAR

Found 94 hits from Eindhoven University of Technology   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50125935
PNG
((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
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



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50125935
PNG
((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
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 1.70n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307231
PNG
(1-(4-Cyanobenzyl)-5-phenyl-1H-imidazole | CHEMBL59...)
Show SMILES N#Cc1ccc(Cn2cncc2-c2ccccc2)cc1
Show InChI InChI=1S/C17H13N3/c18-10-14-6-8-15(9-7-14)12-20-13-19-11-17(20)16-4-2-1-3-5-16/h1-9,11,13H,12H2
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n/an/a 1.70n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307242
PNG
(1-(4-Cyanobenzyl)-5-(2-fluorophenyl)-1H-imidazole ...)
Show SMILES Fc1ccccc1-c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C17H12FN3/c18-16-4-2-1-3-15(16)17-10-20-12-21(17)11-14-7-5-13(9-19)6-8-14/h1-8,10,12H,11H2
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n/an/a 2.30n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307220
PNG
(CHEMBL591229 | Methyl 3-[1-(4-Cyanobenzyl)-1H-imid...)
Show SMILES COC(=O)CCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C15H15N3O2/c1-20-15(19)7-6-14-9-17-11-18(14)10-13-4-2-12(8-16)3-5-13/h2-5,9,11H,6-7,10H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307243
PNG
(1-(4-Cyanobenzyl)-5-(2-methylphenyl)-1H-imidazole ...)
Show SMILES Cc1ccccc1-c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C18H15N3/c1-14-4-2-3-5-17(14)18-11-20-13-21(18)12-16-8-6-15(10-19)7-9-16/h2-9,11,13H,12H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307223
PNG
(CHEMBL592614 | Methyl 3-[1-(4-Bromobenzyl)-1H-imid...)
Show SMILES COC(=O)CCc1cncn1Cc1ccc(Br)cc1
Show InChI InChI=1S/C14H15BrN2O2/c1-19-14(18)7-6-13-8-16-10-17(13)9-11-2-4-12(15)5-3-11/h2-5,8,10H,6-7,9H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM24655
PNG
(1-benzyl-5-phenyl-1H-imidazole | 4-phenylimidazole...)
Show SMILES C(c1ccccc1)n1cncc1-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-3-7-14(8-4-1)12-18-13-17-11-16(18)15-9-5-2-6-10-15/h1-11,13H,12H2
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n/an/a 4.80n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307234
PNG
(1-(4-Bromobenzyl)-5-phenyl-1H-imidazole | CHEMBL59...)
Show SMILES Brc1ccc(Cn2cncc2-c2ccccc2)cc1
Show InChI InChI=1S/C16H13BrN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2
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n/an/a 5.10n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307245
PNG
(1-(4-Cyanobenzyl)-5-(3-methylphenyl)-1H-imidazole ...)
Show SMILES Cc1cccc(c1)-c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C18H15N3/c1-14-3-2-4-17(9-14)18-11-20-13-21(18)12-16-7-5-15(10-19)6-8-16/h2-9,11,13H,12H2,1H3
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n/an/a 5.20n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307244
PNG
(1-(4-Cyanobenzyl)-5-(3-fluorophenyl)-1H-imidazole ...)
Show SMILES Fc1cccc(c1)-c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C17H12FN3/c18-16-3-1-2-15(8-16)17-10-20-12-21(17)11-14-6-4-13(9-19)5-7-14/h1-8,10,12H,11H2
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n/an/a 5.5n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307243
PNG
(1-(4-Cyanobenzyl)-5-(2-methylphenyl)-1H-imidazole ...)
Show SMILES Cc1ccccc1-c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C18H15N3/c1-14-4-2-3-5-17(14)18-11-20-13-21(18)12-16-8-6-15(10-19)7-9-16/h2-9,11,13H,12H2,1H3
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n/an/a 5.70n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307233
PNG
(1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole | CHEMBL5...)
Show SMILES Clc1ccc(Cn2cncc2-c2ccccc2)cc1
Show InChI InChI=1S/C16H13ClN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2
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n/an/a 5.80n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50047262
PNG
((R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-y...)
Show SMILES N#Cc1ccc(cc1)[C@H]1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307229
PNG
(3-[1-(4-Bromobenzyl)-1H-imidazol-5-yl]-1-propanol ...)
Show SMILES OCCCc1cncn1Cc1ccc(Br)cc1
Show InChI InChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-16-10-15-8-13(16)2-1-7-17/h3-6,8,10,17H,1-2,7,9H2
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n/an/a 6.20n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307245
PNG
(1-(4-Cyanobenzyl)-5-(3-methylphenyl)-1H-imidazole ...)
Show SMILES Cc1cccc(c1)-c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C18H15N3/c1-14-3-2-4-17(9-14)18-11-20-13-21(18)12-16-7-5-15(10-19)6-8-16/h2-9,11,13H,12H2,1H3
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n/an/a 6.20n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307237
PNG
(1-(4-Cyanobenzyl)-5-(methyl carboxylate)-1H-imidaz...)
Show SMILES COC(=O)c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C13H11N3O2/c1-18-13(17)12-7-15-9-16(12)8-11-4-2-10(6-14)3-5-11/h2-5,7,9H,8H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307234
PNG
(1-(4-Bromobenzyl)-5-phenyl-1H-imidazole | CHEMBL59...)
Show SMILES Brc1ccc(Cn2cncc2-c2ccccc2)cc1
Show InChI InChI=1S/C16H13BrN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2
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n/an/a 7n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307232
PNG
(1-(4-Fluorobenzyl)-5-phenyl-1H-imidazole | CHEMBL6...)
Show SMILES Fc1ccc(Cn2cncc2-c2ccccc2)cc1
Show InChI InChI=1S/C16H13FN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2
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n/an/a 11n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307235
PNG
(1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole | CHEMBL...)
Show SMILES COc1ccc(Cn2cncc2-c2ccccc2)cc1
Show InChI InChI=1S/C17H16N2O/c1-20-16-9-7-14(8-10-16)12-19-13-18-11-17(19)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM24655
PNG
(1-benzyl-5-phenyl-1H-imidazole | 4-phenylimidazole...)
Show SMILES C(c1ccccc1)n1cncc1-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-3-7-14(8-4-1)12-18-13-17-11-16(18)15-9-5-2-6-10-15/h1-11,13H,12H2
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n/an/a 11n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307230
PNG
(3-[1-(4-Methoxybenzyl)-1H-imidazol-5-yl]-1-propano...)
Show SMILES COc1ccc(Cn2cncc2CCCO)cc1
Show InChI InChI=1S/C14H18N2O2/c1-18-14-6-4-12(5-7-14)10-16-11-15-9-13(16)3-2-8-17/h4-7,9,11,17H,2-3,8,10H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50008729
PNG
(1-(4-Cyanobenzyl)-5-methyl-1H-imidazole | 4-(5-Met...)
Show SMILES Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C12H11N3/c1-10-7-14-9-15(10)8-12-4-2-11(6-13)3-5-12/h2-5,7,9H,8H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307226
PNG
(3-[1-(4-Cyanobenzyl)-1H-imidazol-5-yl]-1-propanol ...)
Show SMILES OCCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C14H15N3O/c15-8-12-3-5-13(6-4-12)10-17-11-16-9-14(17)2-1-7-18/h3-6,9,11,18H,1-2,7,10H2
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n/an/a 13n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307235
PNG
(1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole | CHEMBL...)
Show SMILES COc1ccc(Cn2cncc2-c2ccccc2)cc1
Show InChI InChI=1S/C17H16N2O/c1-20-16-9-7-14(8-10-16)12-19-13-18-11-17(19)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307232
PNG
(1-(4-Fluorobenzyl)-5-phenyl-1H-imidazole | CHEMBL6...)
Show SMILES Fc1ccc(Cn2cncc2-c2ccccc2)cc1
Show InChI InChI=1S/C16H13FN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2
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n/an/a 16n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307227
PNG
(3-[1-(4-Fluorobenzyl)-1H-imidazol-5-yl]-1-propanol...)
Show SMILES OCCCc1cncn1Cc1ccc(F)cc1
Show InChI InChI=1S/C13H15FN2O/c14-12-5-3-11(4-6-12)9-16-10-15-8-13(16)2-1-7-17/h3-6,8,10,17H,1-2,7,9H2
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n/an/a 16n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307229
PNG
(3-[1-(4-Bromobenzyl)-1H-imidazol-5-yl]-1-propanol ...)
Show SMILES OCCCc1cncn1Cc1ccc(Br)cc1
Show InChI InChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-16-10-15-8-13(16)2-1-7-17/h3-6,8,10,17H,1-2,7,9H2
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n/an/a 18n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307242
PNG
(1-(4-Cyanobenzyl)-5-(2-fluorophenyl)-1H-imidazole ...)
Show SMILES Fc1ccccc1-c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C17H12FN3/c18-16-4-2-1-3-15(16)17-10-20-12-21(17)11-14-7-5-13(9-19)6-8-14/h1-8,10,12H,11H2
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n/an/a 20n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307238
PNG
(1-(4-Cyanobenzyl)-5-bromo-1H-imidazole | CHEMBL599...)
Show SMILES Brc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C11H8BrN3/c12-11-6-14-8-15(11)7-10-3-1-9(5-13)2-4-10/h1-4,6,8H,7H2
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n/an/a 23n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307246
PNG
(1-(4-Cyanobenzyl)-5-(4-fluorophenyl)-1H-imidazole ...)
Show SMILES Fc1ccc(cc1)-c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C17H12FN3/c18-16-7-5-15(6-8-16)17-10-20-12-21(17)11-14-3-1-13(9-19)2-4-14/h1-8,10,12H,11H2
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n/an/a 25n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307233
PNG
(1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole | CHEMBL5...)
Show SMILES Clc1ccc(Cn2cncc2-c2ccccc2)cc1
Show InChI InChI=1S/C16H13ClN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2
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n/an/a 25n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307246
PNG
(1-(4-Cyanobenzyl)-5-(4-fluorophenyl)-1H-imidazole ...)
Show SMILES Fc1ccc(cc1)-c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C17H12FN3/c18-16-7-5-15(6-8-16)17-10-20-12-21(17)11-14-3-1-13(9-19)2-4-14/h1-8,10,12H,11H2
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n/an/a 27n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307231
PNG
(1-(4-Cyanobenzyl)-5-phenyl-1H-imidazole | CHEMBL59...)
Show SMILES N#Cc1ccc(Cn2cncc2-c2ccccc2)cc1
Show InChI InChI=1S/C17H13N3/c18-10-14-6-8-15(9-7-14)12-20-13-19-11-17(20)16-4-2-1-3-5-16/h1-9,11,13H,12H2
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n/an/a 28n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307240
PNG
(1-(4-Cyanobenzyl)-5-hydroxymethyl-1H-imidazole | C...)
Show SMILES OCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C12H11N3O/c13-5-10-1-3-11(4-2-10)7-15-9-14-6-12(15)8-16/h1-4,6,9,16H,7-8H2
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n/an/a 29n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307220
PNG
(CHEMBL591229 | Methyl 3-[1-(4-Cyanobenzyl)-1H-imid...)
Show SMILES COC(=O)CCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C15H15N3O2/c1-20-15(19)7-6-14-9-17-11-18(14)10-13-4-2-12(8-16)3-5-13/h2-5,9,11H,6-7,10H2,1H3
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n/an/a 31n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307244
PNG
(1-(4-Cyanobenzyl)-5-(3-fluorophenyl)-1H-imidazole ...)
Show SMILES Fc1cccc(c1)-c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C17H12FN3/c18-16-3-1-2-15(8-16)17-10-20-12-21(17)11-14-6-4-13(9-19)5-7-14/h1-8,10,12H,11H2
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n/an/a 32n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM9920
PNG
((S)Fadrozole | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...)
Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307236
PNG
(1-(4-Cyanobenzyl)-5-(methylene-acetate)-1H-imidazo...)
Show SMILES COC(=O)OCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C14H13N3O3/c1-19-14(18)20-9-13-7-16-10-17(13)8-12-4-2-11(6-15)3-5-12/h2-5,7,10H,8-9H2,1H3
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n/an/a 44n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307228
PNG
(3-[1-(4-Chlorobenzyl)-1H-imidazol-5-yl]-1-propanol...)
Show SMILES OCCCc1cncn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN2O/c14-12-5-3-11(4-6-12)9-16-10-15-8-13(16)2-1-7-17/h3-6,8,10,17H,1-2,7,9H2
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n/an/a 44n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307237
PNG
(1-(4-Cyanobenzyl)-5-(methyl carboxylate)-1H-imidaz...)
Show SMILES COC(=O)c1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C13H11N3O2/c1-18-13(17)12-7-15-9-16(12)8-11-4-2-10(6-14)3-5-11/h2-5,7,9H,8H2,1H3
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n/an/a 48n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307226
PNG
(3-[1-(4-Cyanobenzyl)-1H-imidazol-5-yl]-1-propanol ...)
Show SMILES OCCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C14H15N3O/c15-8-12-3-5-13(6-4-12)10-17-11-16-9-14(17)2-1-7-18/h3-6,9,11,18H,1-2,7,10H2
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n/an/a 48n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307221
PNG
(CHEMBL599622 | Methyl 3-[1-(4-Fluorobenzyl)-1H-imi...)
Show SMILES COC(=O)CCc1cncn1Cc1ccc(F)cc1
Show InChI InChI=1S/C14H15FN2O2/c1-19-14(18)7-6-13-8-16-10-17(13)9-11-2-4-12(15)5-3-11/h2-5,8,10H,6-7,9H2,1H3
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n/an/a 50n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307228
PNG
(3-[1-(4-Chlorobenzyl)-1H-imidazol-5-yl]-1-propanol...)
Show SMILES OCCCc1cncn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN2O/c14-12-5-3-11(4-6-12)9-16-10-15-8-13(16)2-1-7-17/h3-6,8,10,17H,1-2,7,9H2
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n/an/a 55n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307223
PNG
(CHEMBL592614 | Methyl 3-[1-(4-Bromobenzyl)-1H-imid...)
Show SMILES COC(=O)CCc1cncn1Cc1ccc(Br)cc1
Show InChI InChI=1S/C14H15BrN2O2/c1-19-14(18)7-6-13-8-16-10-17(13)9-11-2-4-12(15)5-3-11/h2-5,8,10H,6-7,9H2,1H3
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n/an/a 57n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307230
PNG
(3-[1-(4-Methoxybenzyl)-1H-imidazol-5-yl]-1-propano...)
Show SMILES COc1ccc(Cn2cncc2CCCO)cc1
Show InChI InChI=1S/C14H18N2O2/c1-18-14-6-4-12(5-7-14)10-16-11-15-9-13(16)3-2-8-17/h4-7,9,11,17H,2-3,8,10H2,1H3
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n/an/a 59n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50307239
PNG
(1-(4-Cyanobenzyl)-5-formyl-1H-imidazole | CHEMBL61...)
Show SMILES O=Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C12H9N3O/c13-5-10-1-3-11(4-2-10)7-15-9-14-6-12(15)8-16/h1-4,6,8-9H,7H2
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n/an/a 62n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307238
PNG
(1-(4-Cyanobenzyl)-5-bromo-1H-imidazole | CHEMBL599...)
Show SMILES Brc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C11H8BrN3/c12-11-6-14-8-15(11)7-10-3-1-9(5-13)2-4-10/h1-4,6,8H,7H2
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n/an/a 73n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307221
PNG
(CHEMBL599622 | Methyl 3-[1-(4-Fluorobenzyl)-1H-imi...)
Show SMILES COC(=O)CCc1cncn1Cc1ccc(F)cc1
Show InChI InChI=1S/C14H15FN2O2/c1-19-14(18)7-6-13-8-16-10-17(13)9-11-2-4-12(15)5-3-11/h2-5,8,10H,6-7,9H2,1H3
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n/an/a 104n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50307224
PNG
(CHEMBL599624 | Methyl 3-[1-(4-Methoxybenzyl)-1H-im...)
Show SMILES COC(=O)CCc1cncn1Cc1ccc(OC)cc1
Show InChI InChI=1S/C15H18N2O3/c1-19-14-6-3-12(4-7-14)10-17-11-16-9-13(17)5-8-15(18)20-2/h3-4,6-7,9,11H,5,8,10H2,1-2H3
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n/an/a 111n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
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