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PubMed code 22861193

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aromatase


(Homo sapiens (Human))		BDBM50395608
PNG
(CHEMBL2165321)
Show SMILES CN1C(=O)CCc2cc(c(OCc3ccccc3)cc12)-c1cccnc1
Show InChI InChI=1S/C22H20N2O2/c1-24-20-13-21(26-15-16-6-3-2-4-7-16)19(18-8-5-11-23-14-18)12-17(20)9-10-22(24)25/h2-8,11-14H,9-10,15H2,1H3
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n/an/a 11n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395607
PNG
(CHEMBL2165322)
Show SMILES Brc1cc(cc2CCC(=O)Nc12)-c1cccnc1
Show InChI InChI=1S/C14H11BrN2O/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18)
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n/an/a 12n/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)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50318614
PNG
(1-(4-nitro-2-phenoxybenzyl)-1H-imidazole | CHEMBL1...)
Show SMILES [O-][N+](=O)c1ccc(Cn2ccnc2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C16H13N3O3/c20-19(21)14-7-6-13(11-18-9-8-17-12-18)16(10-14)22-15-4-2-1-3-5-15/h1-10,12H,11H2
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n/an/a 12n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395612
PNG
(CHEMBL2165317)
Show SMILES CCOc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C17H18N2O2/c1-3-21-16-10-15-12(6-7-17(20)19(15)2)9-14(16)13-5-4-8-18-11-13/h4-5,8-11H,3,6-7H2,1-2H3
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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 CYP11B2 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395614
PNG
(CHEMBL2165315)
Show SMILES COc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C16H16N2O2/c1-18-14-9-15(20-2)13(12-4-3-7-17-10-12)8-11(14)5-6-16(18)19/h3-4,7-10H,5-6H2,1-2H3
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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 CYP11B2 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395610
PNG
(CHEMBL2165319)
Show SMILES CN1C(=O)CCc2cc(c(OC3CCCC3)cc12)-c1cccnc1
Show InChI InChI=1S/C20H22N2O2/c1-22-18-12-19(24-16-6-2-3-7-16)17(15-5-4-10-21-13-15)11-14(18)8-9-20(22)23/h4-5,10-13,16H,2-3,6-9H2,1H3
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n/an/a 22n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395609
PNG
(CHEMBL2165320)
Show SMILES O=C1CCc2cc(c(OCc3ccccc3)cc2N1)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c24-21-9-8-16-11-18(17-7-4-10-22-13-17)20(12-19(16)23-21)25-14-15-5-2-1-3-6-15/h1-7,10-13H,8-9,14H2,(H,23,24)
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n/an/a 22n/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)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395609
PNG
(CHEMBL2165320)
Show SMILES O=C1CCc2cc(c(OCc3ccccc3)cc2N1)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c24-21-9-8-16-11-18(17-7-4-10-22-13-17)20(12-19(16)23-21)25-14-15-5-2-1-3-6-15/h1-7,10-13H,8-9,14H2,(H,23,24)
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n/an/a 35n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395609
PNG
(CHEMBL2165320)
Show SMILES O=C1CCc2cc(c(OCc3ccccc3)cc2N1)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c24-21-9-8-16-11-18(17-7-4-10-22-13-17)20(12-19(16)23-21)25-14-15-5-2-1-3-6-15/h1-7,10-13H,8-9,14H2,(H,23,24)
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n/an/a 44n/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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395612
PNG
(CHEMBL2165317)
Show SMILES CCOc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C17H18N2O2/c1-3-21-16-10-15-12(6-7-17(20)19(15)2)9-14(16)13-5-4-8-18-11-13/h4-5,8-11H,3,6-7H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395614
PNG
(CHEMBL2165315)
Show SMILES COc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C16H16N2O2/c1-18-14-9-15(20-2)13(12-4-3-7-17-10-12)8-11(14)5-6-16(18)19/h3-4,7-10H,5-6H2,1-2H3
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n/an/a 49n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
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 52n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395608
PNG
(CHEMBL2165321)
Show SMILES CN1C(=O)CCc2cc(c(OCc3ccccc3)cc12)-c1cccnc1
Show InChI InChI=1S/C22H20N2O2/c1-24-20-13-21(26-15-16-6-3-2-4-7-16)19(18-8-5-11-23-14-18)12-17(20)9-10-22(24)25/h2-8,11-14H,9-10,15H2,1H3
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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 CYP11B1 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395611
PNG
(CHEMBL2165318)
Show SMILES O=C1CCc2cc(c(OC3CCCC3)cc2N1)-c1cccnc1
Show InChI InChI=1S/C19H20N2O2/c22-19-8-7-13-10-16(14-4-3-9-20-12-14)18(11-17(13)21-19)23-15-5-1-2-6-15/h3-4,9-12,15H,1-2,5-8H2,(H,21,22)
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n/an/a 162n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395608
PNG
(CHEMBL2165321)
Show SMILES CN1C(=O)CCc2cc(c(OCc3ccccc3)cc12)-c1cccnc1
Show InChI InChI=1S/C22H20N2O2/c1-24-20-13-21(26-15-16-6-3-2-4-7-16)19(18-8-5-11-23-14-18)12-17(20)9-10-22(24)25/h2-8,11-14H,9-10,15H2,1H3
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n/an/a 178n/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)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395604
PNG
(CHEMBL2165325)
Show SMILES O=C1CCc2cc(cc(-c3ccsc3)c2N1)-c1cccnc1
Show InChI InChI=1S/C18H14N2OS/c21-17-4-3-12-8-15(13-2-1-6-19-10-13)9-16(18(12)20-17)14-5-7-22-11-14/h1-2,5-11H,3-4H2,(H,20,21)
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n/an/a 208n/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)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395615
PNG
(CHEMBL2165314)
Show SMILES COc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C15H14N2O2/c1-19-14-8-13-10(4-5-15(18)17-13)7-12(14)11-3-2-6-16-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,18)
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n/an/a 268n/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)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395604
PNG
(CHEMBL2165325)
Show SMILES O=C1CCc2cc(cc(-c3ccsc3)c2N1)-c1cccnc1
Show InChI InChI=1S/C18H14N2OS/c21-17-4-3-12-8-15(13-2-1-6-19-10-13)9-16(18(12)20-17)14-5-7-22-11-14/h1-2,5-11H,3-4H2,(H,20,21)
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Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395616
PNG
(CHEMBL2165313)
Show SMILES Oc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C14H12N2O2/c17-13-7-12-9(3-4-14(18)16-12)6-11(13)10-2-1-5-15-8-10/h1-2,5-8,17H,3-4H2,(H,16,18)
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n/an/a 312n/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)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395606
PNG
(CHEMBL2165323)
Show SMILES O=C1CCc2cc(cc(c2N1)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C20H16N2O/c23-19-9-8-15-11-17(16-7-4-10-21-13-16)12-18(20(15)22-19)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2,(H,22,23)
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n/an/a 394n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50273776
PNG
(1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H14N2O/c1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18/h2-4,6,8-10H,5,7H2,1H3
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n/an/a 426n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395615
PNG
(CHEMBL2165314)
Show SMILES COc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C15H14N2O2/c1-19-14-8-13-10(4-5-15(18)17-13)7-12(14)11-3-2-6-16-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,18)
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n/an/a 447n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395613
PNG
(CHEMBL2165316)
Show SMILES CCOc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C16H16N2O2/c1-2-20-15-9-14-11(5-6-16(19)18-14)8-13(15)12-4-3-7-17-10-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,19)
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n/an/a 488n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395613
PNG
(CHEMBL2165316)
Show SMILES CCOc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C16H16N2O2/c1-2-20-15-9-14-11(5-6-16(19)18-14)8-13(15)12-4-3-7-17-10-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,19)
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n/an/a 674n/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)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395610
PNG
(CHEMBL2165319)
Show SMILES CN1C(=O)CCc2cc(c(OC3CCCC3)cc12)-c1cccnc1
Show InChI InChI=1S/C20H22N2O2/c1-22-18-12-19(24-16-6-2-3-7-16)17(15-5-4-10-21-13-15)11-14(18)8-9-20(22)23/h4-5,10-13,16H,2-3,6-9H2,1H3
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n/an/a 759n/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)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395612
PNG
(CHEMBL2165317)
Show SMILES CCOc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C17H18N2O2/c1-3-21-16-10-15-12(6-7-17(20)19(15)2)9-14(16)13-5-4-8-18-11-13/h4-5,8-11H,3,6-7H2,1-2H3
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n/an/a 790n/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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395605
PNG
(CHEMBL2165324)
Show SMILES O=C1CCc2cc(cc(c2N1)-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C19H15N3O/c23-18-6-5-13-9-16(14-3-1-7-20-11-14)10-17(19(13)22-18)15-4-2-8-21-12-15/h1-4,7-12H,5-6H2,(H,22,23)
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n/an/a 954n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395611
PNG
(CHEMBL2165318)
Show SMILES O=C1CCc2cc(c(OC3CCCC3)cc2N1)-c1cccnc1
Show InChI InChI=1S/C19H20N2O2/c22-19-8-7-13-10-16(14-4-3-9-20-12-14)18(11-17(13)21-19)23-15-5-1-2-6-15/h3-4,9-12,15H,1-2,5-8H2,(H,21,22)
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n/an/a 1.08E+3n/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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395605
PNG
(CHEMBL2165324)
Show SMILES O=C1CCc2cc(cc(c2N1)-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C19H15N3O/c23-18-6-5-13-9-16(14-3-1-7-20-11-14)10-17(19(13)22-18)15-4-2-8-21-12-15/h1-4,7-12H,5-6H2,(H,22,23)
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n/an/a 1.10E+3n/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)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395614
PNG
(CHEMBL2165315)
Show SMILES COc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C16H16N2O2/c1-18-14-9-15(20-2)13(12-4-3-7-17-10-12)8-11(14)5-6-16(18)19/h3-4,7-10H,5-6H2,1-2H3
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n/an/a 1.10E+3n/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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395610
PNG
(CHEMBL2165319)
Show SMILES CN1C(=O)CCc2cc(c(OC3CCCC3)cc12)-c1cccnc1
Show InChI InChI=1S/C20H22N2O2/c1-22-18-12-19(24-16-6-2-3-7-16)17(15-5-4-10-21-13-15)11-14(18)8-9-20(22)23/h4-5,10-13,16H,2-3,6-9H2,1H3
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n/an/a 1.17E+3n/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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395606
PNG
(CHEMBL2165323)
Show SMILES O=C1CCc2cc(cc(c2N1)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C20H16N2O/c23-19-9-8-15-11-17(16-7-4-10-21-13-16)12-18(20(15)22-19)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2,(H,22,23)
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n/an/a 1.17E+3n/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)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395607
PNG
(CHEMBL2165322)
Show SMILES Brc1cc(cc2CCC(=O)Nc12)-c1cccnc1
Show InChI InChI=1S/C14H11BrN2O/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18)
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n/an/a 1.42E+3n/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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395611
PNG
(CHEMBL2165318)
Show SMILES O=C1CCc2cc(c(OC3CCCC3)cc2N1)-c1cccnc1
Show InChI InChI=1S/C19H20N2O2/c22-19-8-7-13-10-16(14-4-3-9-20-12-14)18(11-17(13)21-19)23-15-5-1-2-6-15/h3-4,9-12,15H,1-2,5-8H2,(H,21,22)
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n/an/a 1.70E+3n/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)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395615
PNG
(CHEMBL2165314)
Show SMILES COc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C15H14N2O2/c1-19-14-8-13-10(4-5-15(18)17-13)7-12(14)11-3-2-6-16-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,18)
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n/an/a 2.87E+3n/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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395607
PNG
(CHEMBL2165322)
Show SMILES Brc1cc(cc2CCC(=O)Nc12)-c1cccnc1
Show InChI InChI=1S/C14H11BrN2O/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18)
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n/an/a 2.90E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395616
PNG
(CHEMBL2165313)
Show SMILES Oc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C14H12N2O2/c17-13-7-12-9(3-4-14(18)16-12)6-11(13)10-2-1-5-15-8-10/h1-2,5-8,17H,3-4H2,(H,16,18)
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n/an/a 3.07E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395613
PNG
(CHEMBL2165316)
Show SMILES CCOc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C16H16N2O2/c1-2-20-15-9-14-11(5-6-16(19)18-14)8-13(15)12-4-3-7-17-10-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,19)
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n/an/a 3.74E+3n/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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395605
PNG
(CHEMBL2165324)
Show SMILES O=C1CCc2cc(cc(c2N1)-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C19H15N3O/c23-18-6-5-13-9-16(14-3-1-7-20-11-14)10-17(19(13)22-18)15-4-2-8-21-12-15/h1-4,7-12H,5-6H2,(H,22,23)
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n/an/a 4.09E+3n/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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395604
PNG
(CHEMBL2165325)
Show SMILES O=C1CCc2cc(cc(-c3ccsc3)c2N1)-c1cccnc1
Show InChI InChI=1S/C18H14N2OS/c21-17-4-3-12-8-15(13-2-1-6-19-10-13)9-16(18(12)20-17)14-5-7-22-11-14/h1-2,5-11H,3-4H2,(H,20,21)
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n/an/a 4.59E+3n/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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50000306
PNG
(6-Pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one | 6-P...)
Show SMILES O=C1CCc2cc(ccc2N1)-c1cccnc1
Show InChI InChI=1S/C14H12N2O/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17)
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n/an/a>5.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395610
PNG
(CHEMBL2165319)
Show SMILES CN1C(=O)CCc2cc(c(OC3CCCC3)cc12)-c1cccnc1
Show InChI InChI=1S/C20H22N2O2/c1-22-18-12-19(24-16-6-2-3-7-16)17(15-5-4-10-21-13-15)11-14(18)8-9-20(22)23/h4-5,10-13,16H,2-3,6-9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395609
PNG
(CHEMBL2165320)
Show SMILES O=C1CCc2cc(c(OCc3ccccc3)cc2N1)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c24-21-9-8-16-11-18(17-7-4-10-22-13-17)20(12-19(16)23-21)25-14-15-5-2-1-3-6-15/h1-7,10-13H,8-9,14H2,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395615
PNG
(CHEMBL2165314)
Show SMILES COc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C15H14N2O2/c1-19-14-8-13-10(4-5-15(18)17-13)7-12(14)11-3-2-6-16-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395616
PNG
(CHEMBL2165313)
Show SMILES Oc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C14H12N2O2/c17-13-7-12-9(3-4-14(18)16-12)6-11(13)10-2-1-5-15-8-10/h1-2,5-8,17H,3-4H2,(H,16,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395613
PNG
(CHEMBL2165316)
Show SMILES CCOc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C16H16N2O2/c1-2-20-15-9-14-11(5-6-16(19)18-14)8-13(15)12-4-3-7-17-10-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395611
PNG
(CHEMBL2165318)
Show SMILES O=C1CCc2cc(c(OC3CCCC3)cc2N1)-c1cccnc1
Show InChI InChI=1S/C19H20N2O2/c22-19-8-7-13-10-16(14-4-3-9-20-12-14)18(11-17(13)21-19)23-15-5-1-2-6-15/h3-4,9-12,15H,1-2,5-8H2,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395607
PNG
(CHEMBL2165322)
Show SMILES Brc1cc(cc2CCC(=O)Nc12)-c1cccnc1
Show InChI InChI=1S/C14H11BrN2O/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395604
PNG
(CHEMBL2165325)
Show SMILES O=C1CCc2cc(cc(-c3ccsc3)c2N1)-c1cccnc1
Show InChI InChI=1S/C18H14N2OS/c21-17-4-3-12-8-15(13-2-1-6-19-10-13)9-16(18(12)20-17)14-5-7-22-11-14/h1-2,5-11H,3-4H2,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395614
PNG
(CHEMBL2165315)
Show SMILES COc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C16H16N2O2/c1-18-14-9-15(20-2)13(12-4-3-7-17-10-12)8-11(14)5-6-16(18)19/h3-4,7-10H,5-6H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395612
PNG
(CHEMBL2165317)
Show SMILES CCOc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C17H18N2O2/c1-3-21-16-10-15-12(6-7-17(20)19(15)2)9-14(16)13-5-4-8-18-11-13/h4-5,8-11H,3,6-7H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395606
PNG
(CHEMBL2165323)
Show SMILES O=C1CCc2cc(cc(c2N1)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C20H16N2O/c23-19-9-8-15-11-17(16-7-4-10-21-13-16)12-18(20(15)22-19)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395608
PNG
(CHEMBL2165321)
Show SMILES CN1C(=O)CCc2cc(c(OCc3ccccc3)cc12)-c1cccnc1
Show InChI InChI=1S/C22H20N2O2/c1-24-20-13-21(26-15-16-6-3-2-4-7-16)19(18-8-5-11-23-14-18)12-17(20)9-10-22(24)25/h2-8,11-14H,9-10,15H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395605
PNG
(CHEMBL2165324)
Show SMILES O=C1CCc2cc(cc(c2N1)-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C19H15N3O/c23-18-6-5-13-9-16(14-3-1-7-20-11-14)10-17(19(13)22-18)15-4-2-8-21-12-15/h1-4,7-12H,5-6H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395616
PNG
(CHEMBL2165313)
Show SMILES Oc1cc2NC(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C14H12N2O2/c17-13-7-12-9(3-4-14(18)16-12)6-11(13)10-2-1-5-15-8-10/h1-2,5-8,17H,3-4H2,(H,16,18)
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n/an/a 1.19E+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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395606
PNG
(CHEMBL2165323)
Show SMILES O=C1CCc2cc(cc(c2N1)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C20H16N2O/c23-19-9-8-15-11-17(16-7-4-10-21-13-16)12-18(20(15)22-19)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2,(H,22,23)
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n/an/a 1.62E+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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50395614
PNG
(CHEMBL2165315)
Show SMILES COc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C16H16N2O2/c1-18-14-9-15(20-2)13(12-4-3-7-17-10-12)8-11(14)5-6-16(18)19/h3-4,7-10H,5-6H2,1-2H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of hepatic CYP3A4

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50395612
PNG
(CHEMBL2165317)
Show SMILES CCOc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
Show InChI InChI=1S/C17H18N2O2/c1-3-21-16-10-15-12(6-7-17(20)19(15)2)9-14(16)13-5-4-8-18-11-13/h4-5,8-11H,3,6-7H2,1-2H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of hepatic CYP3A4

J Med Chem 55: 7080-9 (2012)


Article DOI: 10.1021/jm3004637
BindingDB Entry DOI: 10.7270/Q2542PPJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%