BDBM50019888 CHEMBL3287180::US9745282, 31

SMILES: O=C(C1CC1)N1CCc2cc(ccc12)-c1cncc2ccccc12

InChI Key: InChIKey=ICZBOLDXWHXIOZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50019888   

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 11B1, mitochondrial (Homo sapiens (Human))	BDBM50019888 (CHEMBL3287180 | US9745282, 31) Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cncc2ccccc12 Show InChI InChI=1S/C21H18N2O/c24-21(14-5-6-14)23-10-9-16-11-15(7-8-20(16)23)19-13-22-12-17-3-1-2-4-18(17)19/h1-4,7-8,11-14H,5-6,9-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 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 11B1 (Homo sapiens (Human))	BDBM50019888 (CHEMBL3287180 | US9745282, 31) Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cncc2ccccc12 Show InChI InChI=1S/C21H18N2O/c24-21(14-5-6-14)23-10-9-16-11-15(7-8-20(16)23)19-13-22-12-17-3-1-2-4-18(17)19/h1-4,7-8,11-14H,5-6,9-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	6.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp; ElexoPharm GmbH US Patent									US Patent US9745282 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z66
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50019888 (CHEMBL3287180 | US9745282, 31) Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cncc2ccccc12 Show InChI InChI=1S/C21H18N2O/c24-21(14-5-6-14)23-10-9-16-11-15(7-8-20(16)23)19-13-22-12-17-3-1-2-4-18(17)19/h1-4,7-8,11-14H,5-6,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp; ElexoPharm GmbH 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 US9745282 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z66
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50019888 (CHEMBL3287180 | US9745282, 31) Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cncc2ccccc12 Show InChI InChI=1S/C21H18N2O/c24-21(14-5-6-14)23-10-9-16-11-15(7-8-20(16)23)19-13-22-12-17-3-1-2-4-18(17)19/h1-4,7-8,11-14H,5-6,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	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