Compile Data Set for Download or QSAR

Found 1277 hits of ic50 data for polymerid = 1023,50000926,50006986   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50125935 ((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...) Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1 Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector				ACS Med Chem Lett 2: 559-564 (2011) Article DOI: 10.1021/ml100283h BindingDB Entry DOI: 10.7270/Q21R6RJ2
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM238149 (US9394290, ETO (etomidate)) Show SMILES CCOC(=O)c1cncn1C(C)c1ccccc1 Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	37
UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN US Patent					Assay Description V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...				US Patent US9394290 (2016) BindingDB Entry DOI: 10.7270/Q24T6H86
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50125935 ((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...) Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1 Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate				ACS Med Chem Lett 2: 2-6 (2011) Article DOI: 10.1021/ml100071j BindingDB Entry DOI: 10.7270/Q28W3DKS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50273814 (6-Isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2(...) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc2ccccc12 Show InChI InChI=1S/C19H16N2O/c1-21-18-8-6-13(10-14(18)7-9-19(21)22)17-12-20-11-15-4-2-3-5-16(15)17/h2-6,8,10-12H,7,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells				J Med Chem 51: 8077-87 (2008) Article DOI: 10.1021/jm800888q BindingDB Entry DOI: 10.7270/Q23B6008
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM286224 (4-(6-fluoro-3-ethylimidazo[1,2- a]pyridin-2-yl)iso...) Show SMILES Cc1c(nc2ccc(F)cn12)-c1cncc2ccccc12 Show InChI InChI=1S/C17H12FN3/c1-11-17(20-16-7-6-13(18)10-21(11)16)15-9-19-8-12-4-2-3-5-14(12)15/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016)
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50044136 (CHEMBL3313977) Show SMILES Cn1c(nc2ccc(F)c(F)c12)-c1cncc2ccccc12 Show InChI InChI=1S/C17H11F2N3/c1-22-16-14(7-6-13(18)15(16)19)21-17(22)12-9-20-8-10-4-2-3-5-11(10)12/h2-9H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human aldosterone synthase expressed in V79 MZ cells				J Med Chem 57: 5011-22 (2014) Article DOI: 10.1021/jm401430e BindingDB Entry DOI: 10.7270/Q2QR4ZRP
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of CYP11B2 (unknown origin)				J Med Chem 57: 5179-89 (2014) Article DOI: 10.1021/jm500140c BindingDB Entry DOI: 10.7270/Q20Z74VS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate				J Med Chem 57: 5179-89 (2014) Article DOI: 10.1021/jm500140c BindingDB Entry DOI: 10.7270/Q20Z74VS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50272366 (3-(1-Methoxyethyl)-5-(6-methoxynaphthalen-2-yl)pyr...) Show SMILES COC(C)c1cncc(c1)-c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C19H19NO2/c1-13(21-2)17-9-18(12-20-11-17)15-4-5-16-10-19(22-3)7-6-14(16)8-15/h4-13H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50341470 (9-Isoquinolin-4-yl-1,2,6,7-tetrahydro-5H-pyrido[3,...) Show SMILES O=C1CCc2cc(cc3CCCN1c23)-c1cncc2ccccc12 Show InChI InChI=1S/C21H18N2O/c24-20-8-7-15-11-17(10-14-5-3-9-23(20)21(14)15)19-13-22-12-16-4-1-2-6-18(16)19/h1-2,4,6,10-13H,3,5,7-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay				J Med Chem 54: 2307-19 (2011) Article DOI: 10.1021/jm101470k BindingDB Entry DOI: 10.7270/Q2765FM6
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50341469 (8-Isoquinolin-4-yl-1,2,5,6-tetrahydro-4H-pyrrolo[3...) Show SMILES O=C1CCc2cc(cc3CCN1c23)-c1cncc2ccccc12 Show InChI InChI=1S/C20H16N2O/c23-19-6-5-13-9-16(10-14-7-8-22(19)20(13)14)18-12-21-11-15-3-1-2-4-17(15)18/h1-4,9-12H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay				J Med Chem 54: 2307-19 (2011) Article DOI: 10.1021/jm101470k BindingDB Entry DOI: 10.7270/Q2765FM6
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50273813 (6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...) Show SMILES O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12 Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells				J Med Chem 51: 8077-87 (2008) Article DOI: 10.1021/jm800888q BindingDB Entry DOI: 10.7270/Q23B6008
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50273781 (6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquin...) Show SMILES COc1cncc(c1)-c1ccc2N(C)C(=O)CCc2c1 Show InChI InChI=1S/C16H16N2O2/c1-18-15-5-3-11(7-12(15)4-6-16(18)19)13-8-14(20-2)10-17-9-13/h3,5,7-10H,4,6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells				J Med Chem 51: 8077-87 (2008) Article DOI: 10.1021/jm800888q BindingDB Entry DOI: 10.7270/Q23B6008
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50272321 (3-(Methoxymethyl)-5-(6-methoxynaphthalen-2-yl)pyri...) Show SMILES COCc1cncc(c1)-c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C18H17NO2/c1-20-12-13-7-17(11-19-10-13)15-3-4-16-9-18(21-2)6-5-14(16)8-15/h3-11H,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50092190 (CHEMBL3582482) Show SMILES Cc1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1C Show InChI InChI=1S/C17H15F2N3/c1-9-7-20-8-12(10(9)2)17-21-15-5-13(18)14(19)6-16(15)22(17)11-3-4-11/h5-8,11H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method				J Med Chem 58: 2530-7 (2015) Article DOI: 10.1021/acs.jmedchem.5b00079 BindingDB Entry DOI: 10.7270/Q20003S5
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured aft...				Eur J Med Chem 90: 788-96 (2015) Article DOI: 10.1016/j.ejmech.2014.12.022 BindingDB Entry DOI: 10.7270/Q2PZ5BGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human aldosterone synthase expressed in V79 MZ cells				J Med Chem 57: 5011-22 (2014) Article DOI: 10.1021/jm401430e BindingDB Entry DOI: 10.7270/Q2QR4ZRP
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50062547 (CHEMBL3397605) Show SMILES O=C1Nc2ccc(cc2CO1)-c1cncc2ccccc12 Show InChI InChI=1S/C17H12N2O2/c20-17-19-16-6-5-11(7-13(16)10-21-17)15-9-18-8-12-3-1-2-4-14(12)15/h1-9H,10H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured aft...				Eur J Med Chem 90: 788-96 (2015) Article DOI: 10.1016/j.ejmech.2014.12.022 BindingDB Entry DOI: 10.7270/Q2PZ5BGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50092142 (CHEMBL3582477) Show SMILES CC(C)(O)c1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,8+,9-,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50323359 ((S)-2-{6-[(S)-1-(4-Chloro-phenyl)-ethyl]-5,5-dioxo...) Show SMILES C[C@H](N1Cc2cncn2C(C[C@H](O)c2ccccc2)S1(=O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClN3O3S/c1-15(16-7-9-18(22)10-8-16)25-13-19-12-23-14-24(19)21(29(25,27)28)11-20(26)17-5-3-2-4-6-17/h2-10,12,14-15,20-21,26H,11,13H2,1H3/t15-,20-,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM286221 (6-fluoro-3-methyl-2-(5- methoxypyridin-3- yl)imida...) Show SMILES COc1cncc(c1)-c1nc2ccc(F)cn2c1C Show InChI InChI=1S/C14H12FN3O/c1-9-14(10-5-12(19-2)7-16-6-10)17-13-4-3-11(15)8-18(9)13/h3-8H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016)
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50444550 (CHEMBL3099704) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				Citation and Details Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50092185 (CHEMBL3582474) Show SMILES COc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C16H13F2N3O/c1-22-11-4-9(7-19-8-11)16-20-14-5-12(17)13(18)6-15(14)21(16)10-2-3-10/h4-8,10H,2-3H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50092182 (CHEMBL3582470) Show SMILES Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1Cl Show InChI InChI=1S/C15H11ClFN3/c16-11-6-14-13(7-12(11)17)19-15(20(14)10-3-4-10)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM286222 (6-fluoro-3-methyl-2-(5- methylpyridin-3-yl)imidazo...) Show SMILES Cc1c(nc2ccc(F)cn12)-c1cncc(C)c1 Show InChI InChI=1S/C14H12FN3/c1-9-5-11(7-16-6-9)14-10(2)18-8-12(15)3-4-13(18)17-14/h3-8H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016)
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50092137 (CHEMBL3582481) Show SMILES Cc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C16H12F3N3/c1-8-10(6-20-7-13(8)19)16-21-14-4-11(17)12(18)5-15(14)22(16)9-2-3-9/h4-7,9H,2-3H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50062541 (CHEMBL3397600) Show SMILES O=C1COc2cc(ccc2N1)-c1cncc2ccccc12 Show InChI InChI=1S/C17H12N2O2/c20-17-10-21-16-7-11(5-6-15(16)19-17)14-9-18-8-12-3-1-2-4-13(12)14/h1-9H,10H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured aft...				Eur J Med Chem 90: 788-96 (2015) Article DOI: 10.1016/j.ejmech.2014.12.022 BindingDB Entry DOI: 10.7270/Q2PZ5BGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM280297 (US10029993, Example 86) Show SMILES Cc1ccccc1-c1cnnc(n1)N1CCN(CC(=O)Nc2cccnc2)CC1 Show InChI InChI=1S/C21H23N7O/c1-16-5-2-3-7-18(16)19-14-23-26-21(25-19)28-11-9-27(10-12-28)15-20(29)24-17-6-4-8-22-13-17/h2-8,13-14H,9-12,15H2,1H3,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018)
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50439060 (CHEMBL2417616) Show SMILES C(c1ccc(nc1)-c1ccccc1)c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C23H18N2/c1-3-7-20(8-4-1)22-14-19(15-24-17-22)13-18-11-12-23(25-16-18)21-9-5-2-6-10-21/h1-12,14-17H,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 6022-32 (2013) Article DOI: 10.1021/jm400240r BindingDB Entry DOI: 10.7270/Q20866QJ
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50272365 (1-[5-(6-Methoxynaphthalen-2-yl)-pyridin-3-yl]ethan...) Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(c1)C(C)O Show InChI InChI=1S/C18H17NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-12,20H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50206963 (CHEMBL3948337 | US9518055, Example 41) Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016)
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50272370 (4-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)i...) Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc2ccccc12 Show InChI InChI=1S/C21H19NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-8,10-14H,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50272368 (4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...) Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50272247 (6-(4-Methylpyridin-3-yl)-2-naphthonitrile | CHEMBL...) Show SMILES Cc1ccncc1-c1ccc2cc(ccc2c1)C#N Show InChI InChI=1S/C17H12N2/c1-12-6-7-19-11-17(12)16-5-4-14-8-13(10-18)2-3-15(14)9-16/h2-9,11H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50092191 (CHEMBL3582483) Show SMILES COc1c(C)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C17H15F2N3O/c1-9-7-20-8-11(16(9)23-2)17-21-14-5-12(18)13(19)6-15(14)22(17)10-3-4-10/h5-8,10H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50206963 (CHEMBL3948337 | US9518055, Example 41) Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50341462 (8-(5-Methoxypyridin-3-yl)-1,2,5,6-tetrahydro-4H-py...) Show SMILES COc1cncc(c1)-c1cc2CCN3c2c(CCC3=O)c1 Show InChI InChI=1S/C17H16N2O2/c1-21-15-8-14(9-18-10-15)13-6-11-2-3-16(20)19-5-4-12(7-13)17(11)19/h6-10H,2-5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay				J Med Chem 54: 2307-19 (2011) Article DOI: 10.1021/jm101470k BindingDB Entry DOI: 10.7270/Q2765FM6
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50092183 (CHEMBL3582471) Show SMILES Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1C#N Show InChI InChI=1S/C16H11FN4/c17-13-7-14-15(6-11(13)8-18)21(12-3-4-12)16(20-14)10-2-1-5-19-9-10/h1-2,5-7,9,12H,3-4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50019871 (CHEMBL3287192) Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cncc2ccccc12 Show InChI InChI=1S/C19H14N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-12H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate				J Med Chem 57: 5179-89 (2014) Article DOI: 10.1021/jm500140c BindingDB Entry DOI: 10.7270/Q20Z74VS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				Citation and Details Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM280316 (US10029993, Example 183) Show SMILES Cc1ccccc1-c1cnnc(n1)N1CCC(CCCO)CC1 Show InChI InChI=1S/C18H24N4O/c1-14-5-2-3-7-16(14)17-13-19-21-18(20-17)22-10-8-15(9-11-22)6-4-12-23/h2-3,5,7,13,15,23H,4,6,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018)
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50019886 (CHEMBL3287178) Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12 Show InChI InChI=1S/C19H16N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-7,10-12H,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate				J Med Chem 57: 5179-89 (2014) Article DOI: 10.1021/jm500140c BindingDB Entry DOI: 10.7270/Q20Z74VS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50341474 (8-[5-(2-Fluorophenyl)pyridin-3-yl]-1,2,5,6-tetrahy...) Show SMILES Fc1ccccc1-c1cncc(c1)-c1cc2CCN3c2c(CCC3=O)c1 Show InChI InChI=1S/C22H17FN2O/c23-20-4-2-1-3-19(20)18-11-17(12-24-13-18)16-9-14-5-6-21(26)25-8-7-15(10-16)22(14)25/h1-4,9-13H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay				J Med Chem 54: 2307-19 (2011) Article DOI: 10.1021/jm101470k BindingDB Entry DOI: 10.7270/Q2765FM6
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM8611 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50092186 (CHEMBL3582475) Show SMILES Fc1cncc(c1)-c1nc2cc(F)c(Cl)cc2n1C1CC1 Show InChI InChI=1S/C15H10ClF2N3/c16-11-4-14-13(5-12(11)18)20-15(21(14)10-1-2-10)8-3-9(17)7-19-6-8/h3-7,10H,1-2H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM50323356 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isopropoxymeth...) Show SMILES CC(C)OCC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O Show InChI InChI=1S/C17H22ClN3O3S/c1-12(2)24-10-17-20-11-19-8-16(20)9-21(25(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-8,11-13,17H,9-10H2,1-3H3/t13-,17?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM8611 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured aft...				Eur J Med Chem 90: 788-96 (2015) Article DOI: 10.1016/j.ejmech.2014.12.022 BindingDB Entry DOI: 10.7270/Q2PZ5BGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM8611 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/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-deoxycorticosterone as substrate				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (human))	BDBM8611 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)

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