BDBM50249073 CHEMBL4099361

SMILES: CC(C)(O)c1cncc(c1)-n1ncc2cc(ccc12)C#N

InChI Key: InChIKey=BIWXIDYEYCQZEV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50249073   

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 (Homo sapiens (Human))	BDBM50249073 (CHEMBL4099361) Show SMILES CC(C)(O)c1cncc(c1)-n1ncc2cc(ccc12)C#N Show InChI InChI=1S/C16H14N4O/c1-16(2,21)13-6-14(10-18-9-13)20-15-4-3-11(7-17)5-12(15)8-19-20/h3-6,8-10,21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...				Bioorg Med Chem Lett 27: 2384-2388 (2017) Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (Homo sapiens (Human))	BDBM50249073 (CHEMBL4099361) Show SMILES CC(C)(O)c1cncc(c1)-n1ncc2cc(ccc12)C#N Show InChI InChI=1S/C16H14N4O/c1-16(2,21)13-6-14(10-18-9-13)20-15-4-3-11(7-17)5-12(15)8-19-20/h3-6,8-10,21H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories 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: 2384-2388 (2017) Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2
					More data for this Ligand-Target Pair