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Compile Data Set for Download or QSAR

Found 1130 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



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...


J Med Chem 57: 5011-22 (2014)

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


J Med Chem 53: 1712-25 (2010)

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))
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


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

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


(Homo sapiens (human))
BDBM238149
PNG
(US9394290, ETO (etomidate))
Show SMILES CCOC(=O)c1cncn1C(C)c1ccccc1
Show InChI InChI=1/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
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n/an/a 0.5n/an/an/an/an/an/a



UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN

US Patent


Assay Description
V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...


US Patent US9394290 (2016)

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


J Med Chem 56: 1723-9 (2013)

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


J Med Chem 56: 6022-32 (2013)

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


J Med Chem 55: 6629-33 (2012)

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))
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


J Med Chem 55: 6629-33 (2012)

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


J Med Chem 56: 6022-32 (2013)

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


Eur J Med Chem 96: 139-50 (2015)

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


Bioorg Med Chem Lett 20: 4324-7 (2010)

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


Eur J Med Chem 96: 139-50 (2015)

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


J Med Chem 55: 6629-33 (2012)

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


J Med Chem 56: 460-70 (2013)

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


J Med Chem 57: 5179-89 (2014)

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


J Med Chem 57: 5011-22 (2014)

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...


Eur J Med Chem 90: 788-96 (2015)

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


J Med Chem 58: 2530-7 (2015)

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


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

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...


J Med Chem 48: 1796-805 (2005)

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


J Med Chem 55: 6629-33 (2012)

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


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

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


J Med Chem 56: 460-70 (2013)

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...


Eur J Med Chem 90: 788-96 (2015)

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)

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...


Eur J Med Chem 89: 106-14 (2014)

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


J Med Chem 56: 6022-32 (2013)

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


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

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


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

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


J Med Chem 57: 7811-7 (2014)

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


J Med Chem 56: 1723-9 (2013)

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)

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


Eur J Med Chem 96: 139-50 (2015)

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


J Med Chem 57: 7811-7 (2014)

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


Eur J Med Chem 96: 139-50 (2015)

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


J Med Chem 56: 6022-32 (2013)

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...


J Med Chem 48: 1796-805 (2005)

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)

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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)

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& 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


J Med Chem 56: 460-70 (2013)

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 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


Eur J Med Chem 89: 597-605 (2014)

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 human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)

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



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


J Med Chem 58: 2530-7 (2015)

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



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...


Eur J Med Chem 90: 788-96 (2015)

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