BDBM50273782 (2-(Pyridin-4-yl)quinolin-4-yl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone::CHEMBL457857

SMILES: O=C(N1CCC(CC1)N1CCCC1)c1cc(nc2ccccc12)-c1ccncc1

InChI Key: InChIKey=WCGQRYASVNTPIS-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50273782   

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 2C9 (Homo sapiens (Human))	BDBM50273782 ((2-(Pyridin-4-yl)quinolin-4-yl)(4-(pyrrolidin-1-yl...) Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1cc(nc2ccccc12)-c1ccncc1 Show InChI InChI=1S/C24H26N4O/c29-24(28-15-9-19(10-16-28)27-13-3-4-14-27)21-17-23(18-7-11-25-12-8-18)26-22-6-2-1-5-20(21)22/h1-2,5-8,11-12,17,19H,3-4,9-10,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of reconstituted CYP2C9 (unknown origin)				J Med Chem 51: 8000-11 (2008) Article DOI: 10.1021/jm8011257 BindingDB Entry DOI: 10.7270/Q2K937CZ
					More data for this Ligand-Target Pair