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Compile Data Set for Download or QSAR

Found 95 hits Enz. Inhib. hit(s) with all data for entry = 50042400   
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))
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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50341460
PNG
(8-Pyridin-3-yl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1...)
Show SMILES O=C1CCc2cc(cc3CCN1c23)-c1cccnc1
Show InChI InChI=1S/C16H14N2O/c19-15-4-3-11-8-14(13-2-1-6-17-10-13)9-12-5-7-18(15)16(11)12/h1-2,6,8-10H,3-5,7H2
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n/an/a 1.10n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50425454
PNG
(CHEMBL2312965)
Show SMILES O=C1CCc2cc(Cc3cccnc3)cc3CCN1c23
Show InChI InChI=1S/C17H16N2O/c20-16-4-3-14-9-13(8-12-2-1-6-18-11-12)10-15-5-7-19(16)17(14)15/h1-2,6,9-11H,3-5,7-8H2
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n/an/a 16n/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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425467
PNG
(CHEMBL2312960)
Show SMILES Clc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19ClN2O/c24-20-3-1-2-16(14-20)22(15-6-9-25-10-7-15)19-12-17-4-5-21(27)26-11-8-18(13-19)23(17)26/h1-3,6-7,9-10,12-14,22H,4-5,8,11H2
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n/an/a 19n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 24n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425465
PNG
(CHEMBL2312962)
Show SMILES Cc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O/c1-16-3-2-4-18(13-16)23(17-7-10-25-11-8-17)21-14-19-5-6-22(27)26-12-9-20(15-21)24(19)26/h2-4,7-8,10-11,13-15,23H,5-6,9,12H2,1H3
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n/an/a 32n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425466
PNG
(CHEMBL2312961)
Show SMILES Clc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19ClN2O/c24-20-4-1-15(2-5-20)22(16-7-10-25-11-8-16)19-13-17-3-6-21(27)26-12-9-18(14-19)23(17)26/h1-2,4-5,7-8,10-11,13-14,22H,3,6,9,12H2
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n/an/a 32n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50425448
PNG
(CHEMBL2312971)
Show SMILES Clc1cccc(c1)C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19ClN2O/c24-20-5-1-3-15(13-20)22(18-4-2-9-25-14-18)19-11-16-6-7-21(27)26-10-8-17(12-19)23(16)26/h1-5,9,11-14,22H,6-8,10H2
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n/an/a 36n/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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
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 36n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 37n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(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 41n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50425453
PNG
(CHEMBL2312966)
Show SMILES C=C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C18H16N2O/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/h2-3,7,9-11H,1,4-6,8H2
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n/an/a 41n/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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425465
PNG
(CHEMBL2312962)
Show SMILES Cc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O/c1-16-3-2-4-18(13-16)23(17-7-10-25-11-8-17)21-14-19-5-6-22(27)26-12-9-20(15-21)24(19)26/h2-4,7-8,10-11,13-15,23H,5-6,9,12H2,1H3
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n/an/a 41n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425456
PNG
(CHEMBL2312957)
Show SMILES COc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O2/c1-28-21-5-2-16(3-6-21)23(17-8-11-25-12-9-17)20-14-18-4-7-22(27)26-13-10-19(15-20)24(18)26/h2-3,5-6,8-9,11-12,14-15,23H,4,7,10,13H2,1H3
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n/an/a 46n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425467
PNG
(CHEMBL2312960)
Show SMILES Clc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19ClN2O/c24-20-3-1-2-16(14-20)22(15-6-9-25-10-7-15)19-12-17-4-5-21(27)26-11-8-18(13-19)23(17)26/h1-3,6-7,9-10,12-14,22H,4-5,8,11H2
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n/an/a 51n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425466
PNG
(CHEMBL2312961)
Show SMILES Clc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19ClN2O/c24-20-4-1-15(2-5-20)22(16-7-10-25-11-8-16)19-13-17-3-6-21(27)26-12-9-18(14-19)23(17)26/h1-2,4-5,7-8,10-11,13-14,22H,3,6,9,12H2
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n/an/a 55n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425468
PNG
(CHEMBL2312959)
Show SMILES Fc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19FN2O/c24-20-4-1-15(2-5-20)22(16-7-10-25-11-8-16)19-13-17-3-6-21(27)26-12-9-18(14-19)23(17)26/h1-2,4-5,7-8,10-11,13-14,22H,3,6,9,12H2
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n/an/a 56n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425457
PNG
(CHEMBL2312956)
Show SMILES COc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O2/c1-28-21-4-2-3-17(15-21)23(16-7-10-25-11-8-16)20-13-18-5-6-22(27)26-12-9-19(14-20)24(18)26/h2-4,7-8,10-11,13-15,23H,5-6,9,12H2,1H3
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n/an/a 59n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50425451
PNG
(CHEMBL2312968)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H20N2O/c26-21-9-8-17-13-20(14-18-10-12-25(21)23(17)18)22(16-5-2-1-3-6-16)19-7-4-11-24-15-19/h1-7,11,13-15,22H,8-10,12H2
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n/an/a 68n/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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425469
PNG
(CHEMBL2312958)
Show SMILES Fc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19FN2O/c24-20-3-1-2-16(14-20)22(15-6-9-25-10-7-15)19-12-17-4-5-21(27)26-11-8-18(13-19)23(17)26/h1-3,6-7,9-10,12-14,22H,4-5,8,11H2
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n/an/a 74n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425454
PNG
(CHEMBL2312965)
Show SMILES O=C1CCc2cc(Cc3cccnc3)cc3CCN1c23
Show InChI InChI=1S/C17H16N2O/c20-16-4-3-14-9-13(8-12-2-1-6-18-11-12)10-15-5-7-19(16)17(14)15/h1-2,6,9-11H,3-5,7-8H2
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n/an/a 74n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425456
PNG
(CHEMBL2312957)
Show SMILES COc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O2/c1-28-21-5-2-16(3-6-21)23(17-8-11-25-12-9-17)20-14-18-4-7-22(27)26-13-10-19(15-20)24(18)26/h2-3,5-6,8-9,11-12,14-15,23H,4,7,10,13H2,1H3
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n/an/a 74n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425461
PNG
(CHEMBL2312952)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CCCCC1)c1ccncc1
Show InChI InChI=1S/C23H26N2O/c26-21-7-6-18-14-20(15-19-10-13-25(21)23(18)19)22(16-4-2-1-3-5-16)17-8-11-24-12-9-17/h8-9,11-12,14-16,22H,1-7,10,13H2
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n/an/a 74n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425456
PNG
(CHEMBL2312957)
Show SMILES COc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O2/c1-28-21-5-2-16(3-6-21)23(17-8-11-25-12-9-17)20-14-18-4-7-22(27)26-13-10-19(15-20)24(18)26/h2-3,5-6,8-9,11-12,14-15,23H,4,7,10,13H2,1H3
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n/an/a 74n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425463
PNG
(CHEMBL2312950)
Show SMILES CC(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C18H18N2O/c1-12(13-4-7-19-8-5-13)16-10-14-2-3-17(21)20-9-6-15(11-16)18(14)20/h4-5,7-8,10-12H,2-3,6,9H2,1H3
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n/an/a 74n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50425447
PNG
(CHEMBL2312972)
Show SMILES Fc1ccc(cc1)C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19FN2O/c24-20-6-3-15(4-7-20)22(18-2-1-10-25-14-18)19-12-16-5-8-21(27)26-11-9-17(13-19)23(16)26/h1-4,6-7,10,12-14,22H,5,8-9,11H2
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n/an/a 78n/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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425458
PNG
(CHEMBL2312955)
Show SMILES COc1ccccc1C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O2/c1-28-21-5-3-2-4-20(21)23(16-8-11-25-12-9-16)19-14-17-6-7-22(27)26-13-10-18(15-19)24(17)26/h2-5,8-9,11-12,14-15,23H,6-7,10,13H2,1H3
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n/an/a 81n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425460
PNG
(CHEMBL2312953)
Show SMILES OC(c1ccccc1)(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H20N2O2/c26-21-7-6-16-14-20(15-17-10-13-25(21)22(16)17)23(27,18-4-2-1-3-5-18)19-8-11-24-12-9-19/h1-5,8-9,11-12,14-15,27H,6-7,10,13H2
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n/an/a 85n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50425468
PNG
(CHEMBL2312959)
Show SMILES Fc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19FN2O/c24-20-4-1-15(2-5-20)22(16-7-10-25-11-8-16)19-13-17-3-6-21(27)26-12-9-18(14-19)23(17)26/h1-2,4-5,7-8,10-11,13-14,22H,3,6,9,12H2
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n/an/a 88n/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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425469
PNG
(CHEMBL2312958)
Show SMILES Fc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19FN2O/c24-20-3-1-2-16(14-20)22(15-6-9-25-10-7-15)19-12-17-4-5-21(27)26-11-8-18(13-19)23(17)26/h1-3,6-7,9-10,12-14,22H,4-5,8,11H2
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n/an/a 88n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50425466
PNG
(CHEMBL2312961)
Show SMILES Clc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19ClN2O/c24-20-4-1-15(2-5-20)22(16-7-10-25-11-8-16)19-13-17-3-6-21(27)26-12-9-18(14-19)23(17)26/h1-2,4-5,7-8,10-11,13-14,22H,3,6,9,12H2
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n/an/a 92n/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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425456
PNG
(CHEMBL2312957)
Show SMILES COc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O2/c1-28-21-5-2-16(3-6-21)23(17-8-11-25-12-9-17)20-14-18-4-7-22(27)26-13-10-19(15-20)24(18)26/h2-3,5-6,8-9,11-12,14-15,23H,4,7,10,13H2,1H3
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n/an/a 92n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425456
PNG
(CHEMBL2312957)
Show SMILES COc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O2/c1-28-21-5-2-16(3-6-21)23(17-8-11-25-12-9-17)20-14-18-4-7-22(27)26-13-10-19(15-20)24(18)26/h2-3,5-6,8-9,11-12,14-15,23H,4,7,10,13H2,1H3
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n/an/a 92n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425444
PNG
(CHEMBL2312949)
Show SMILES C=C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C18H16N2O/c1-12(13-4-7-19-8-5-13)16-10-14-2-3-17(21)20-9-6-15(11-16)18(14)20/h4-5,7-8,10-11H,1-3,6,9H2
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n/an/a 96n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425460
PNG
(CHEMBL2312953)
Show SMILES OC(c1ccccc1)(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H20N2O2/c26-21-7-6-16-14-20(15-17-10-13-25(21)22(16)17)23(27,18-4-2-1-3-5-18)19-8-11-24-12-9-19/h1-5,8-9,11-12,14-15,27H,6-7,10,13H2
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n/an/a 105n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425468
PNG
(CHEMBL2312959)
Show SMILES Fc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19FN2O/c24-20-4-1-15(2-5-20)22(16-7-10-25-11-8-16)19-13-17-3-6-21(27)26-12-9-18(14-19)23(17)26/h1-2,4-5,7-8,10-11,13-14,22H,3,6,9,12H2
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n/an/a 116n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425458
PNG
(CHEMBL2312955)
Show SMILES COc1ccccc1C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O2/c1-28-21-5-3-2-4-20(21)23(16-8-11-25-12-9-16)19-14-17-6-7-22(27)26-13-10-18(15-19)24(17)26/h2-5,8-9,11-12,14-15,23H,6-7,10,13H2,1H3
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n/an/a 128n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425451
PNG
(CHEMBL2312968)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H20N2O/c26-21-9-8-17-13-20(14-18-10-12-25(21)23(17)18)22(16-5-2-1-3-6-16)19-7-4-11-24-15-19/h1-7,11,13-15,22H,8-10,12H2
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n/an/a 132n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425457
PNG
(CHEMBL2312956)
Show SMILES COc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O2/c1-28-21-4-2-3-17(15-21)23(16-7-10-25-11-8-16)20-13-18-5-6-22(27)26-12-9-19(14-20)24(18)26/h2-4,7-8,10-11,13-15,23H,5-6,9,12H2,1H3
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n/an/a 139n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50425463
PNG
(CHEMBL2312950)
Show SMILES CC(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C18H18N2O/c1-12(13-4-7-19-8-5-13)16-10-14-2-3-17(21)20-9-6-15(11-16)18(14)20/h4-5,7-8,10-12H,2-3,6,9H2,1H3
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n/an/a 140n/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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425447
PNG
(CHEMBL2312972)
Show SMILES Fc1ccc(cc1)C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C23H19FN2O/c24-20-6-3-15(4-7-20)22(18-2-1-10-25-14-18)19-12-16-5-8-21(27)26-11-9-17(13-19)23(16)26/h1-4,6-7,10,12-14,22H,5,8-9,11H2
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n/an/a 140n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50425445
PNG
(CHEMBL2311553)
Show SMILES O=C1CCc2cc(Cc3ccncc3)cc3CCN1c23
Show InChI InChI=1S/C17H16N2O/c20-16-2-1-14-10-13(9-12-3-6-18-7-4-12)11-15-5-8-19(16)17(14)15/h3-4,6-7,10-11H,1-2,5,8-9H2
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n/an/a 204n/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 hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50425445
PNG
(CHEMBL2311553)
Show SMILES O=C1CCc2cc(Cc3ccncc3)cc3CCN1c23
Show InChI InChI=1S/C17H16N2O/c20-16-2-1-14-10-13(9-12-3-6-18-7-4-12)11-15-5-8-19(16)17(14)15/h3-4,6-7,10-11H,1-2,5,8-9H2
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n/an/a 224n/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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(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 228n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425464
PNG
(CHEMBL2312963)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C25H18F6N2O/c26-24(27,28)19-11-18(12-20(13-19)25(29,30)31)22(14-3-6-32-7-4-14)17-9-15-1-2-21(34)33-8-5-16(10-17)23(15)33/h3-4,6-7,9-13,22H,1-2,5,8H2
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n/an/a 246n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50425456
PNG
(CHEMBL2312957)
Show SMILES COc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O2/c1-28-21-5-2-16(3-6-21)23(17-8-11-25-12-9-17)20-14-18-4-7-22(27)26-13-10-19(15-20)24(18)26/h2-3,5-6,8-9,11-12,14-15,23H,4,7,10,13H2,1H3
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n/an/a 273n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50425458
PNG
(CHEMBL2312955)
Show SMILES COc1ccccc1C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show InChI InChI=1S/C24H22N2O2/c1-28-21-5-3-2-4-20(21)23(16-8-11-25-12-9-16)19-14-17-6-7-22(27)26-13-10-18(15-19)24(17)26/h2-5,8-9,11-12,14-15,23H,6-7,10,13H2,1H3
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n/an/a 276n/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)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
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