BDBM50395455 CHEMBL2163639

SMILES: O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1

InChI Key: InChIKey=CPGZFWITSZFDAF-UHFFFAOYSA-N

Data: 9 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50395455   

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 (CYP11B2) (Homo sapiens (Human))	BDBM50395455 (CHEMBL2163639) Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1 Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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 hamster V79 MZh cells using deoxycorticosterone substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50395455 (CHEMBL2163639) Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1 Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.3	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 CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50395455 (CHEMBL2163639) Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1 Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	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 CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50395455 (CHEMBL2163639) Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1 Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	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 CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50395455 (CHEMBL2163639) Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1 Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	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 CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate				J Med Chem 56: 460-70 (2013) Article DOI: 10.1021/jm301408t BindingDB Entry DOI: 10.7270/Q2X34ZSF
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50395455 (CHEMBL2163639) Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1 Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	228	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 placental CYP19 using androstenedione substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50395455 (CHEMBL2163639) Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1 Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	228	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 CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method				J Med Chem 56: 460-70 (2013) Article DOI: 10.1021/jm301408t BindingDB Entry DOI: 10.7270/Q2X34ZSF
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50395455 (CHEMBL2163639) Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1 Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50395455 (CHEMBL2163639) Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1 Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+3	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 CYP17 expressed in Escherichia coli using progesterone substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair