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Compile Data Set for Download or QSAR

Found 437 hits with Last Name = 'hanke' and Initial = 'n'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1016/j.ejmech.2015.04.013
BindingDB Entry DOI: 10.7270/Q2WQ05HQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1016/j.ejmech.2015.04.013
BindingDB Entry DOI: 10.7270/Q2WQ05HQ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50442322
PNG
(CHEMBL2442760)
Show SMILES CCn1ccc2c1ccc1nc(cc(Cn3ccnc3)c21)-c1ccccc1
Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-19-22(27)9-8-20-23(19)18(15-26-13-11-24-16-26)14-21(25-20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3
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n/an/a 3.10n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis


J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM13061
PNG
(4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
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n/an/a 3.40n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis


J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023784
PNG
(CHEMBL3337692)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H20N2O2S/c27-29(28,23-11-9-18-5-1-2-6-19(18)16-23)26-14-4-8-21-15-20(10-12-24(21)26)22-7-3-13-25-17-22/h1-3,5-7,9-13,15-17H,4,8,14H2
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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 CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023759
PNG
(CHEMBL3337672)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C18H16N2O3S/c1-23-17-5-2-6-18(12-17)24(21,22)20-16-9-7-14(8-10-16)15-4-3-11-19-13-15/h2-13,20H,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 CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023762
PNG
(CHEMBL3337682)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)29-18-6-8-19(9-7-18)30(27,28)26-12-2-4-16-13-15(5-10-20(16)26)17-3-1-11-25-14-17/h1,3,5-11,13-14H,2,4,12H2
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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 CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023767
PNG
(CHEMBL3337670)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCc2cc(cnc12)-c1ccncc1
Show InChI InChI=1S/C19H17N3O3S/c1-25-17-3-2-4-18(12-17)26(23,24)22-10-7-15-11-16(13-21-19(15)22)14-5-8-20-9-6-14/h2-6,8-9,11-13H,7,10H2,1H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023770
PNG
(CHEMBL3337693)
Show SMILES O=S(=O)(C1CCCCC1)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H24N2O2S/c23-25(24,19-8-2-1-3-9-19)22-13-5-7-17-14-16(10-11-20(17)22)18-6-4-12-21-15-18/h4,6,10-12,14-15,19H,1-3,5,7-9,13H2
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023758
PNG
(CHEMBL3337685)
Show SMILES Clc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-18-6-1-7-19(13-18)26(24,25)23-11-3-5-16-12-15(8-9-20(16)23)17-4-2-10-22-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023773
PNG
(CHEMBL3337679)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O2S/c1-16-5-2-8-20(13-16)26(24,25)23-12-4-7-18-14-17(9-10-21(18)23)19-6-3-11-22-15-19/h2-3,5-6,8-11,13-15H,4,7,12H2,1H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023768
PNG
(CHEMBL3337689)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H17N3O2S/c22-14-16-4-1-7-20(12-16)27(25,26)24-11-3-6-18-13-17(8-9-21(18)24)19-5-2-10-23-15-19/h1-2,4-5,7-10,12-13,15H,3,6,11H2
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023765
PNG
(CHEMBL3337673)
Show SMILES COc1cccc(c1)S(=O)(=O)N(C)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C19H18N2O3S/c1-21(25(22,23)19-7-3-6-18(13-19)24-2)17-10-8-15(9-11-17)16-5-4-12-20-14-16/h3-14H,1-2H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023776
PNG
(CHEMBL3337674)
Show SMILES COc1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H22N2O3S/c1-30-24-10-5-11-25(17-24)31(28,29)27(19-20-7-3-2-4-8-20)23-14-12-21(13-15-23)22-9-6-16-26-18-22/h2-18H,19H2,1H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019874
PNG
(CHEMBL3287169)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H14N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8H2,1H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023775
PNG
(CHEMBL3337664)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H18N2O3S/c1-25-18-5-2-6-19(13-18)26(23,24)22-11-9-16-12-15(7-8-20(16)22)17-4-3-10-21-14-17/h2-8,10,12-14H,9,11H2,1H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023777
PNG
(CHEMBL3337668)
Show SMILES CC(C)S(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C16H18N2O2S/c1-12(2)21(19,20)18-9-7-14-10-13(5-6-16(14)18)15-4-3-8-17-11-15/h3-6,8,10-12H,7,9H2,1-2H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023760
PNG
(CHEMBL3337667)
Show SMILES CCS(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H16N2O2S/c1-2-20(18,19)17-9-7-13-10-12(5-6-15(13)17)14-4-3-8-16-11-14/h3-6,8,10-11H,2,7,9H2,1H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023761
PNG
(CHEMBL3337665)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C19H15FN2O2S/c20-17-4-1-5-18(12-17)25(23,24)22-10-8-15-11-14(6-7-19(15)22)16-3-2-9-21-13-16/h1-7,9,11-13H,8,10H2
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023778
PNG
(CHEMBL3337666)
Show SMILES CS(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C14H14N2O2S/c1-19(17,18)16-8-6-12-9-11(4-5-14(12)16)13-3-2-7-15-10-13/h2-5,7,9-10H,6,8H2,1H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50028166
PNG
(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Show SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019883
PNG
(CHEMBL3286405)
Show SMILES COc1cccc(c1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c1-25-19-6-2-4-17(13-19)21(24)23-11-9-16-12-15(7-8-20(16)23)18-5-3-10-22-14-18/h2-8,10,12-14H,9,11H2,1H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023766
PNG
(CHEMBL3337683)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17FN2O2S/c21-18-6-1-7-19(13-18)26(24,25)23-11-3-5-16-12-15(8-9-20(16)23)17-4-2-10-22-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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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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)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023781
PNG
(CHEMBL3337677)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H18N2O2S/c23-25(24,19-8-2-1-3-9-19)22-13-5-7-17-14-16(10-11-20(17)22)18-6-4-12-21-15-18/h1-4,6,8-12,14-15H,5,7,13H2
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023782
PNG
(CHEMBL3337678)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O3S/c1-26-19-7-9-20(10-8-19)27(24,25)23-13-3-5-17-14-16(6-11-21(17)23)18-4-2-12-22-15-18/h2,4,6-12,14-15H,3,5,13H2,1H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023764
PNG
(CHEMBL3337686)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-18-6-8-19(9-7-18)26(24,25)23-12-2-4-16-13-15(5-10-20(16)23)17-3-1-11-22-14-17/h1,3,5-11,13-14H,2,4,12H2
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023783
PNG
(CHEMBL3337687)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O2S/c22-21(23,24)18-6-1-7-19(13-18)29(27,28)26-11-3-5-16-12-15(8-9-20(16)26)17-4-2-10-25-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023772
PNG
(CHEMBL3337680)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O2S/c1-16-6-9-20(10-7-16)26(24,25)23-13-3-5-18-14-17(8-11-21(18)23)19-4-2-12-22-15-19/h2,4,6-12,14-15H,3,5,13H2,1H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023786
PNG
(CHEMBL3337681)
Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)29-18-6-1-7-19(13-18)30(27,28)26-11-3-5-16-12-15(8-9-20(16)26)17-4-2-10-25-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023787
PNG
(CHEMBL3337690)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17N3O2S/c22-14-16-5-8-20(9-6-16)27(25,26)24-12-2-4-18-13-17(7-10-21(18)24)19-3-1-11-23-15-19/h1,3,5-11,13,15H,2,4,12H2
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023785
PNG
(CHEMBL3337691)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1cccs1
Show InChI InChI=1S/C18H16N2O2S2/c21-24(22,18-6-3-11-23-18)20-10-2-5-15-12-14(7-8-17(15)20)16-4-1-9-19-13-16/h1,3-4,6-9,11-13H,2,5,10H2
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023780
PNG
(CHEMBL3337675)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1ccncc1
Show InChI InChI=1S/C21H20N2O3S/c1-26-19-5-2-6-20(15-19)27(24,25)23-13-3-4-18-14-17(7-8-21(18)23)16-9-11-22-12-10-16/h2,5-12,14-15H,3-4,13H2,1H3
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Saarland University and 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 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023788
PNG
(CHEMBL3337669)
Show SMILES CC(C)CS(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C17H20N2O2S/c1-13(2)12-22(20,21)19-9-7-15-10-14(5-6-17(15)19)16-4-3-8-18-11-16/h3-6,8,10-11,13H,7,9,12H2,1-2H3
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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 CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023769
PNG
(CHEMBL3337676)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O3S/c1-26-19-7-2-8-20(14-19)27(24,25)23-12-4-6-17-13-16(9-10-21(17)23)18-5-3-11-22-15-18/h2-3,5,7-11,13-15H,4,6,12H2,1H3
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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 CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023789
PNG
(CHEMBL3337684)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17FN2O2S/c21-18-6-8-19(9-7-18)26(24,25)23-12-2-4-16-13-15(5-10-20(16)23)17-3-1-11-22-14-17/h1,3,5-11,13-14H,2,4,12H2
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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 CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023774
PNG
(CHEMBL3337671)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCc2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C19H17N3O3S/c1-25-17-5-2-6-18(11-17)26(23,24)22-9-7-14-10-16(13-21-19(14)22)15-4-3-8-20-12-15/h2-6,8,10-13H,7,9H2,1H3
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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 CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50023779
PNG
(CHEMBL3337688)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O2S/c22-21(23,24)18-6-8-19(9-7-18)29(27,28)26-12-2-4-16-13-15(5-10-20(16)26)17-3-1-11-25-14-17/h1,3,5-11,13-14H,2,4,12H2
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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 CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50442326
PNG
(CHEMBL2442758)
Show SMILES CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1
Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3
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n/an/a 5.30n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis


J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1016/j.ejmech.2015.04.013
BindingDB Entry DOI: 10.7270/Q2WQ05HQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50442323
PNG
(CHEMBL2442759)
Show SMILES Cc1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
Show InChI InChI=1S/C16H14N4/c1-11-8-12(9-20-7-6-17-10-20)13-2-3-15-14(4-5-18-15)16(13)19-11/h2-8,10,18H,9H2,1H3
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n/an/a 6n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis


J Med Chem 56: 7536-51 (2013)


Article DOI: 10.1021/jm400377z
BindingDB Entry DOI: 10.7270/Q2M046WV
More data for this
Ligand-Target Pair
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