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Compile Data Set for Download or QSAR

Found 926 hits Enz. Inhib. hit(s) with Target = 'Steroid 11-beta-Hydroxylase (CYP11B1)' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50044425
PNG
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
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15n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for corticoid 11-beta-hydroxylase


J Med Chem 36: 2235-7 (1993)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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35n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for corticoid 11-beta-hydroxylase


J Med Chem 36: 2235-7 (1993)

More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50444550
PNG
(CHEMBL3099704)
Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N
Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50429524
PNG
(CHEMBL2333326)
Show SMILES Clc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
Show InChI InChI=1S/C17H11ClN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2
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n/an/a 0.5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
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



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
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



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticosterone for 3 h...


Citation and Details
More data for this
Ligand-Target Pair
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


TBA

Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50439060
PNG
(CHEMBL2417616)
Show SMILES C(c1ccc(nc1)-c1ccccc1)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C23H18N2/c1-3-7-20(8-4-1)22-14-19(15-24-17-22)13-18-11-12-23(25-16-18)21-9-5-2-6-10-21/h1-12,14-17H,13H2
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n/an/a 1.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50395460
PNG
(CHEMBL2163638)
Show SMILES CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C18H21N3O/c1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21/h6,8-12,17H,3-5,7H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
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n/an/a 1.5n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50444548
PNG
(CHEMBL3099696)
Show SMILES Cc1cc(ccc1[C@H]1CCc2cncn12)C#N
Show InChI InChI=1S/C14H13N3/c1-10-6-11(7-15)2-4-13(10)14-5-3-12-8-16-9-17(12)14/h2,4,6,8-9,14H,3,5H2,1H3/t14-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50439057
PNG
(CHEMBL2417553)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2/c1-14-9-16(12-19-11-14)10-15-7-8-18(20-13-15)17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 25 mins by HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50082277
PNG
(CHEMBL3421769)
Show SMILES [O-][N+](=O)c1ccc(c(OCCc2ccccc2)c1)-c1ccncc1
Show InChI InChI=1S/C19H16N2O3/c22-21(23)17-6-7-18(16-8-11-20-12-9-16)19(14-17)24-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2
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n/an/a 2n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 25 mins by HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50439057
PNG
(CHEMBL2417553)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2/c1-14-9-16(12-19-11-14)10-15-7-8-18(20-13-15)17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50323360
PNG
(4-(7-benzyl-6-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]...)
Show SMILES O=C1C(c2ccc(cc2)C#N)n2cncc2CN1Cc1ccccc1
Show InChI InChI=1S/C20H16N4O/c21-10-15-6-8-17(9-7-15)19-20(25)23(12-16-4-2-1-3-5-16)13-18-11-22-14-24(18)19/h1-9,11,14,19H,12-13H2
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B1 by cell-based assay


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
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n/an/a 2.20n/an/an/an/an/an/a



Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
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n/an/a 2.20n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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TBA

Assay Description
Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZ cells


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP11B1 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C14H14N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h1-2,4,7-10H,3,5-6H2,(H,15,16)
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n/an/a 3.30n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50395459
PNG
(CHEMBL2163640)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CCC1)n1ccnc1
Show InChI InChI=1S/C19H21N3O/c23-17-5-4-14-10-16(11-15-6-8-22(17)19(14)15)18(13-2-1-3-13)21-9-7-20-12-21/h7,9-13,18H,1-6,8H2
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n/an/a 3.40n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50425452
PNG
(CHEMBL2312967)
Show SMILES CC(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C18H18N2O/c1-12(15-3-2-7-19-11-15)16-9-13-4-5-17(21)20-8-6-14(10-16)18(13)20/h2-3,7,9-12H,4-6,8H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50062549
PNG
(CHEMBL3397607)
Show SMILES O=C1NCc2cc(ccc2N1)-c1cncc2ccccc12
Show InChI InChI=1S/C17H13N3O/c21-17-19-9-13-7-11(5-6-16(13)20-17)15-10-18-8-12-3-1-2-4-14(12)15/h1-8,10H,9H2,(H2,19,20,21)
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n/an/a 4.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP11B1 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured aft...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50439062
PNG
(CHEMBL2417614)
Show SMILES COc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2O/c1-21-17-10-15(11-19-13-17)9-14-7-8-18(20-12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50023771
PNG
(CHEMBL3337695)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(Cc3cccnc3)ccc12
Show InChI InChI=1S/C22H22N2O3S/c1-27-20-7-2-8-21(15-20)28(25,26)24-12-4-6-19-14-17(9-10-22(19)24)13-18-5-3-11-23-16-18/h2-3,5,7-11,14-16H,4,6,12-13H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50335345
PNG
(1-Adamantan-1-ylmethyl-1H-imidazole | CHEMBL165150...)
Show SMILES C(n1ccnc1)C12CC3CC(CC(C3)C1)C2
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


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50339668
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethoxy...)
Show SMILES FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2
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n/an/a 5n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50429516
PNG
(CHEMBL2333334)
Show SMILES O=c1c2ccccc2oc2c(OCC3CC3)ccc(Cn3ccnc3)c12
Show InChI InChI=1S/C21H18N2O3/c24-20-16-3-1-2-4-17(16)26-21-18(25-12-14-5-6-14)8-7-15(19(20)21)11-23-10-9-22-13-23/h1-4,7-10,13-14H,5-6,11-12H2
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n/an/a 5.5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50082294
PNG
(CHEMBL3421786)
Show SMILES [O-][N+](=O)c1ccc(Cc2ccncc2)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C20H18N2O3/c23-22(24)19-7-6-18(14-17-8-11-21-12-9-17)20(15-19)25-13-10-16-4-2-1-3-5-16/h1-9,11-12,15H,10,13-14H2
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n/an/a 6n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 25 mins by HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50023763
PNG
(CHEMBL3337694)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(Cc3ccncc3)ccc12
Show InChI InChI=1S/C22H22N2O3S/c1-27-20-5-2-6-21(16-20)28(25,26)24-13-3-4-19-15-18(7-8-22(19)24)14-17-9-11-23-12-10-17/h2,5-12,15-16H,3-4,13-14H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50082279
PNG
(CHEMBL3421767)
Show SMILES [O-][N+](=O)c1ccc(c(OCCCc2ccccc2)c1)-c1cccnc1
Show InChI InChI=1S/C20H18N2O3/c23-22(24)18-10-11-19(17-9-4-12-21-15-17)20(14-18)25-13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,14-15H,5,8,13H2
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n/an/a 6n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 25 mins by HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM50439068
PNG
(CHEMBL2417635)
Show SMILES C(c1ccc(nc1)-c1ccccc1)c1cncc2ccccc12
Show InChI InChI=1S/C21H16N2/c1-2-6-17(7-3-1)21-11-10-16(13-23-21)12-19-15-22-14-18-8-4-5-9-20(18)19/h1-11,13-15H,12H2
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n/an/a 6n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1
Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)
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n/an/a 6.10n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
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
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n/an/a 6.30n/an/an/an/an/an/a



Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
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
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Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
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
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
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
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
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
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
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
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n/an/a 6.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP11B1 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured aft...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Steroid 11-beta-Hydroxylase (CYP11B1)


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
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
PDB

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n/an/a 6.30n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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