BDBM50019871 CHEMBL3287192::US9745282, 51

SMILES: CC(=O)n1ccc2cc(ccc12)-c1cncc2ccccc12

InChI Key: InChIKey=PCCKMWMFPXCDPG-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 = 50019871   

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))	BDBM50019871 (CHEMBL3287192 | US9745282, 51) 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 UniProtKB/SwissProt antibodypedia 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 11B1, mitochondrial (Homo sapiens (Human))	BDBM50019871 (CHEMBL3287192 | US9745282, 51) 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	34	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, mitochondrial (Homo sapiens (Human))	BDBM50019871 (CHEMBL3287192 | US9745282, 51) 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	0.600	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 11B1, mitochondrial (Homo sapiens (Human))	BDBM50019871 (CHEMBL3287192 | US9745282, 51) 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	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