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PubMed code 26540564

Compile data set for download or QSAR
Found 30 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))		BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r|
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500190
PNG
(CHEMBL3746080)
Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2ccc(Cl)nc2n1C
Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)19-9-11-6-13(10-18-8-11)14-7-12-4-5-15(17)20-16(12)21(14)2/h4-8,10,19H,3,9H2,1-2H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500191
PNG
(CHEMBL3747584)
Show SMILES Cc1c(-c2cccnc2)n(C)c2ccccc12
Show InChI InChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500189
PNG
(CHEMBL3746175)
Show SMILES CN(C)S(=O)(=O)Oc1cncc(c1)-c1c(C#N)c2ccccc2n1C
Show InChI InChI=1S/C17H16N4O3S/c1-20(2)25(22,23)24-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)3/h4-8,10-11H,1-3H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r|
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition human recombinant CYP11B1 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500187
PNG
(CHEMBL3747269)
Show SMILES Cn1c(c(C#N)c2ccc(Cl)cc12)-c1cccnc1
Show InChI InChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500185
PNG
(CHEMBL3746125)
Show SMILES Cc1c([nH]c2ccccc12)-c1cccnc1
Show InChI InChI=1S/C14H12N2/c1-10-12-6-2-3-7-13(12)16-14(10)11-5-4-8-15-9-11/h2-9,16H,1H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500188
PNG
(CHEMBL3747562)
Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C
Show InChI InChI=1S/C18H17ClN4O2S/c1-3-26(24,25)22-10-12-6-13(11-21-9-12)18-16(8-20)15-5-4-14(19)7-17(15)23(18)2/h4-7,9,11,22H,3,10H2,1-2H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500187
PNG
(CHEMBL3747269)
Show SMILES Cn1c(c(C#N)c2ccc(Cl)cc12)-c1cccnc1
Show InChI InChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500188
PNG
(CHEMBL3747562)
Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C
Show InChI InChI=1S/C18H17ClN4O2S/c1-3-26(24,25)22-10-12-6-13(11-21-9-12)18-16(8-20)15-5-4-14(19)7-17(15)23(18)2/h4-7,9,11,22H,3,10H2,1-2H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500190
PNG
(CHEMBL3746080)
Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2ccc(Cl)nc2n1C
Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)19-9-11-6-13(10-18-8-11)14-7-12-4-5-15(17)20-16(12)21(14)2/h4-8,10,19H,3,9H2,1-2H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500191
PNG
(CHEMBL3747584)
Show SMILES Cc1c(-c2cccnc2)n(C)c2ccccc12
Show InChI InChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500186
PNG
(CHEMBL3747069)
Show SMILES CCS(=O)(=O)Nc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C
Show InChI InChI=1S/C17H15ClN4O2S/c1-3-25(23,24)21-13-6-11(9-20-10-13)17-15(8-19)14-5-4-12(18)7-16(14)22(17)2/h4-7,9-10,21H,3H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500184
PNG
(CHEMBL3746868)
Show SMILES Cn1c(c(C#N)c2ccccc12)-c1cccnc1
Show InChI InChI=1S/C15H11N3/c1-18-14-7-3-2-6-12(14)13(9-16)15(18)11-5-4-8-17-10-11/h2-8,10H,1H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500186
PNG
(CHEMBL3747069)
Show SMILES CCS(=O)(=O)Nc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C
Show InChI InChI=1S/C17H15ClN4O2S/c1-3-25(23,24)21-13-6-11(9-20-10-13)17-15(8-19)14-5-4-12(18)7-16(14)22(17)2/h4-7,9-10,21H,3H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500185
PNG
(CHEMBL3746125)
Show SMILES Cc1c([nH]c2ccccc12)-c1cccnc1
Show InChI InChI=1S/C14H12N2/c1-10-12-6-2-3-7-13(12)16-14(10)11-5-4-8-15-9-11/h2-9,16H,1H3
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n/an/a 21n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500183
PNG
(CHEMBL3747503)
Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2cnc(Cl)cc2n1C
Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)20-8-11-4-12(9-18-7-11)14-5-13-10-19-16(17)6-15(13)21(14)2/h4-7,9-10,20H,3,8H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500189
PNG
(CHEMBL3746175)
Show SMILES CN(C)S(=O)(=O)Oc1cncc(c1)-c1c(C#N)c2ccccc2n1C
Show InChI InChI=1S/C17H16N4O3S/c1-20(2)25(22,23)24-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)3/h4-8,10-11H,1-3H3
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500184
PNG
(CHEMBL3746868)
Show SMILES Cn1c(c(C#N)c2ccccc12)-c1cccnc1
Show InChI InChI=1S/C15H11N3/c1-18-14-7-3-2-6-12(14)13(9-16)15(18)11-5-4-8-17-10-11/h2-8,10H,1H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500183
PNG
(CHEMBL3747503)
Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2cnc(Cl)cc2n1C
Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)20-8-11-4-12(9-18-7-11)14-5-13-10-19-16(17)6-15(13)21(14)2/h4-7,9-10,20H,3,8H2,1-2H3
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n/an/a 169n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50500187
PNG
(CHEMBL3747269)
Show SMILES Cn1c(c(C#N)c2ccc(Cl)cc12)-c1cccnc1
Show InChI InChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3
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n/an/a 210n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin)

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50500192
PNG
(CHEMBL3746924)
Show SMILES CCS(=O)(=O)Nc1cncc(c1)-c1c(C#N)c2ccccc2n1C
Show InChI InChI=1S/C17H16N4O2S/c1-3-24(22,23)20-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)2/h4-8,10-11,20H,3H2,1-2H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM50500189
PNG
(CHEMBL3746175)
Show SMILES CN(C)S(=O)(=O)Oc1cncc(c1)-c1c(C#N)c2ccccc2n1C
Show InChI InChI=1S/C17H16N4O3S/c1-20(2)25(22,23)24-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)3/h4-8,10-11H,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50500188
PNG
(CHEMBL3747562)
Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C
Show InChI InChI=1S/C18H17ClN4O2S/c1-3-26(24,25)22-10-12-6-13(11-21-9-12)18-16(8-20)15-5-4-14(19)7-17(15)23(18)2/h4-7,9,11,22H,3,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

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n/an/a 3.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 preincubated for 10 mins with NADPH followed by protein addition measured after 90 mins by fluorometric analysis

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM50500185
PNG
(CHEMBL3746125)
Show SMILES Cc1c([nH]c2ccccc12)-c1cccnc1
Show InChI InChI=1S/C14H12N2/c1-10-12-6-2-3-7-13(12)16-14(10)11-5-4-8-15-9-11/h2-9,16H,1H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM50500187
PNG
(CHEMBL3747269)
Show SMILES Cn1c(c(C#N)c2ccc(Cl)cc12)-c1cccnc1
Show InChI InChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50500189
PNG
(CHEMBL3746175)
Show SMILES CN(C)S(=O)(=O)Oc1cncc(c1)-c1c(C#N)c2ccccc2n1C
Show InChI InChI=1S/C17H16N4O3S/c1-20(2)25(22,23)24-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)3/h4-8,10-11H,1-3H3
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin)

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM50500184
PNG
(CHEMBL3746868)
Show SMILES Cn1c(c(C#N)c2ccccc12)-c1cccnc1
Show InChI InChI=1S/C15H11N3/c1-18-14-7-3-2-6-12(14)13(9-16)15(18)11-5-4-8-17-10-11/h2-8,10H,1H3
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n/an/a 1.09E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM50500188
PNG
(CHEMBL3747562)
Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C
Show InChI InChI=1S/C18H17ClN4O2S/c1-3-26(24,25)22-10-12-6-13(11-21-9-12)18-16(8-20)15-5-4-14(19)7-17(15)23(18)2/h4-7,9,11,22H,3,10H2,1-2H3
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n/an/a 2.74E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)		BDBM50500186
PNG
(CHEMBL3747069)
Show SMILES CCS(=O)(=O)Nc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C
Show InChI InChI=1S/C17H15ClN4O2S/c1-3-25(23,24)21-13-6-11(9-20-10-13)17-15(8-19)14-5-4-12(18)7-16(14)22(17)2/h4-7,9-10,21H,3H2,1-2H3
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n/an/a 5.31E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay

J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%