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Compile Data Set for Download or QSAR

Found 1007 hits of ic50 data for polymerid = 1023,50000926,50006986   
Target
(Institution)
LigandTarget
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
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
PDB

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n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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

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
PDB

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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CYP11B2 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
Cytochrome P450 11B2


(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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US Patent
n/an/a 0.100n/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
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50273814
PNG
(6-Isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2(...)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H16N2O/c1-21-18-8-6-13(10-14(18)7-9-19(21)22)17-12-20-11-15-4-2-3-5-16(15)17/h2-6,8,10-12H,7,9H2,1H3
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n/an/a 0.100n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 8077-87 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50044136
PNG
(CHEMBL3313977)
Show SMILES Cn1c(nc2ccc(F)c(F)c12)-c1cncc2ccccc12
Show InChI InChI=1S/C17H11F2N3/c1-22-16-14(7-6-13(18)15(16)19)21-17(22)12-9-20-8-10-4-2-3-5-11(10)12/h2-9H,1H3
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n/an/a 0.150n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human aldosterone synthase expressed in V79 MZ cells


J Med Chem 57: 5011-22 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50273813
PNG
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)
Show SMILES O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
PDB

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n/an/a 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 8077-87 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50273781
PNG
(6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquin...)
Show SMILES COc1cncc(c1)-c1ccc2N(C)C(=O)CCc2c1
Show InChI InChI=1S/C16H16N2O2/c1-18-15-5-3-11(7-12(15)4-6-16(18)19)13-8-14(20-2)10-17-9-13/h3,5,7-10H,4,6H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 8077-87 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50092190
PNG
(CHEMBL3582482)
Show SMILES Cc1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1C
Show InChI InChI=1S/C17H15F2N3/c1-9-7-20-8-12(10(9)2)17-21-15-5-13(18)14(19)6-16(15)22(17)11-3-4-11/h5-8,11H,3-4H2,1-2H3
PDB

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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50272366
PNG
(3-(1-Methoxyethyl)-5-(6-methoxynaphthalen-2-yl)pyr...)
Show SMILES COC(C)c1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C19H19NO2/c1-13(21-2)17-9-18(12-20-11-17)15-4-5-16-10-19(22-3)7-6-14(16)8-15/h4-13H,1-3H3
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n/an/a 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 5064-74 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50272321
PNG
(3-(Methoxymethyl)-5-(6-methoxynaphthalen-2-yl)pyri...)
Show SMILES COCc1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C18H17NO2/c1-20-12-13-7-17(11-19-10-13)15-3-4-16-9-18(21-2)6-5-14(16)8-15/h3-11H,12H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 5064-74 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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 0.200n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 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
Cytochrome P450 11B2


(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 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 (unknown origin)


J Med Chem 57: 5179-89 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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 0.200n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human aldosterone synthase expressed in V79 MZ cells


J Med Chem 57: 5011-22 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50341470
PNG
(9-Isoquinolin-4-yl-1,2,6,7-tetrahydro-5H-pyrido[3,...)
Show SMILES O=C1CCc2cc(cc3CCCN1c23)-c1cncc2ccccc12
Show InChI InChI=1S/C21H18N2O/c24-20-8-7-15-11-17(10-14-5-3-9-23(20)21(14)15)19-13-22-12-16-4-1-2-6-18(16)19/h1-2,4,6,10-13H,3,5,7-9H2
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n/an/a 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay


J Med Chem 54: 2307-19 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50341469
PNG
(8-Isoquinolin-4-yl-1,2,5,6-tetrahydro-4H-pyrrolo[3...)
Show SMILES O=C1CCc2cc(cc3CCN1c23)-c1cncc2ccccc12
Show InChI InChI=1S/C20H16N2O/c23-19-6-5-13-9-16(10-14-7-8-22(19)20(13)14)18-12-21-11-15-3-1-2-4-17(15)18/h1-4,9-12H,5-8H2
PDB

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n/an/a 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay


J Med Chem 54: 2307-19 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 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
Cytochrome P450 11B2


(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 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50323359
PNG
((S)-2-{6-[(S)-1-(4-Chloro-phenyl)-ethyl]-5,5-dioxo...)
Show SMILES C[C@H](N1Cc2cncn2C(C[C@H](O)c2ccccc2)S1(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c1-15(16-7-9-18(22)10-8-16)25-13-19-12-23-14-24(19)21(29(25,27)28)11-20(26)17-5-3-2-4-6-17/h2-10,12,14-15,20-21,26H,11,13H2,1H3/t15-,20-,21?/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 by cell-based assay


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

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50062547
PNG
(CHEMBL3397605)
Show SMILES O=C1Nc2ccc(cc2CO1)-c1cncc2ccccc12
Show InChI InChI=1S/C17H12N2O2/c20-17-19-16-6-5-11(7-13(16)10-21-17)15-9-18-8-12-3-1-2-4-14(12)15/h1-9H,10H2,(H,19,20)
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n/an/a 0.300n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 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
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50092142
PNG
(CHEMBL3582477)
Show SMILES CC(C)(O)c1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,8+,9-,10+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50092182
PNG
(CHEMBL3582470)
Show SMILES Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1Cl
Show InChI InChI=1S/C15H11ClFN3/c16-11-6-14-13(7-12(11)17)19-15(20(14)10-3-4-10)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2
PDB

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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50092185
PNG
(CHEMBL3582474)
Show SMILES COc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H13F2N3O/c1-22-11-4-9(7-19-8-11)16-20-14-5-12(17)13(18)6-15(14)21(16)10-2-3-10/h4-8,10H,2-3H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50272370
PNG
(4-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)i...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc2ccccc12
Show InChI InChI=1S/C21H19NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-8,10-14H,9H2,1-2H3
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n/an/a 0.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 5064-74 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50272365
PNG
(1-[5-(6-Methoxynaphthalen-2-yl)-pyridin-3-yl]ethan...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(c1)C(C)O
Show InChI InChI=1S/C18H17NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-12,20H,1-2H3
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n/an/a 0.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 5064-74 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50092137
PNG
(CHEMBL3582481)
Show SMILES Cc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H12F3N3/c1-8-10(6-20-7-13(8)19)16-21-14-4-11(17)12(18)5-15(14)22(16)9-2-3-9/h4-7,9H,2-3H2,1H3
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50062541
PNG
(CHEMBL3397600)
Show SMILES O=C1COc2cc(ccc2N1)-c1cncc2ccccc12
Show InChI InChI=1S/C17H12N2O2/c20-17-10-21-16-7-11(5-6-15(16)19-17)14-9-18-8-12-3-1-2-4-13(12)14/h1-9H,10H2,(H,19,20)
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n/an/a 0.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 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
Cytochrome P450 11B2


(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 0.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 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
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50092191
PNG
(CHEMBL3582483)
Show SMILES COc1c(C)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C17H15F2N3O/c1-9-7-20-8-11(16(9)23-2)17-21-14-5-12(18)13(19)6-15(14)22(17)10-3-4-10/h5-8,10H,3-4H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50341462
PNG
(8-(5-Methoxypyridin-3-yl)-1,2,5,6-tetrahydro-4H-py...)
Show SMILES COc1cncc(c1)-c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C17H16N2O2/c1-21-15-8-14(9-18-10-15)13-6-11-2-3-16(20)19-5-4-12(7-13)17(11)19/h6-10H,2-5H2,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay


J Med Chem 54: 2307-19 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50092183
PNG
(CHEMBL3582471)
Show SMILES Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1C#N
Show InChI InChI=1S/C16H11FN4/c17-13-7-14-15(6-11(13)8-18)21(12-3-4-12)16(20-14)10-2-1-5-19-9-10/h1-2,5-7,9,12H,3-4H2
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50272368
PNG
(4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 5064-74 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50272247
PNG
(6-(4-Methylpyridin-3-yl)-2-naphthonitrile | CHEMBL...)
Show SMILES Cc1ccncc1-c1ccc2cc(ccc2c1)C#N
Show InChI InChI=1S/C17H12N2/c1-12-6-7-19-11-17(12)16-5-4-14-8-13(10-18)2-3-15(14)9-16/h2-9,11H,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 5064-74 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50019871
PNG
(CHEMBL3287192)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-12H,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50341474
PNG
(8-[5-(2-Fluorophenyl)pyridin-3-yl]-1,2,5,6-tetrahy...)
Show SMILES Fc1ccccc1-c1cncc(c1)-c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C22H17FN2O/c23-20-4-2-1-3-19(20)18-11-17(12-24-13-18)16-9-14-5-6-21(26)25-8-7-15(10-16)22(14)25/h1-4,9-13H,5-8H2
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n/an/a 0.700n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay


J Med Chem 54: 2307-19 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50019886
PNG
(CHEMBL3287178)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H16N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-7,10-12H,8-9H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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 0.800n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 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)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50323356
PNG
(6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isopropoxymeth...)
Show SMILES CC(C)OCC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O
Show InChI InChI=1S/C17H22ClN3O3S/c1-12(2)24-10-17-20-11-19-8-16(20)9-21(25(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-8,11-13,17H,9-10H2,1-3H3/t13-,17?/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 by cell-based assay


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

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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 0.800n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 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)
Cytochrome P450 11B2


(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 0.800n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 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)
Cytochrome P450 11B2


(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 0.800n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method


J Med Chem 55: 7080-9 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2


(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 0.800n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 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)
Cytochrome P450 11B2


(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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University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 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
3D
3D Structure (crystal)
Cytochrome P450 11B2


(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 CYP11B2 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)
Cytochrome P450 11B2


(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 CYP11B2 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)
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50092186
PNG
(CHEMBL3582475)
Show SMILES Fc1cncc(c1)-c1nc2cc(F)c(Cl)cc2n1C1CC1
Show InChI InChI=1S/C15H10ClF2N3/c16-11-4-14-13(5-12(11)18)20-15(21(14)10-1-2-10)8-3-9(17)7-19-6-8/h3-7,10H,1-2H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50272246
PNG
(3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine | CH...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cnccc1C
Show InChI InChI=1S/C17H15NO/c1-12-7-8-18-11-17(12)15-4-3-14-10-16(19-2)6-5-13(14)9-15/h3-11H,1-2H3
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Saarland University

Curated by ChEMBL


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


J Med Chem 51: 5064-74 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50272289
PNG
(CHEMBL500146 | Methyl 5-(6-methoxynaphthalen-2-yl)...)
Show SMILES COC(=O)c1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C18H15NO3/c1-21-17-6-5-12-7-13(3-4-14(12)9-17)15-8-16(11-19-10-15)18(20)22-2/h3-11H,1-2H3
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Saarland University

Curated by ChEMBL


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


J Med Chem 51: 5064-74 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay


Citation and Details
More data for this
Ligand-Target Pair
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