BDBM50273712 CHEMBL457021::Piperidin-1-yl(2-(pyridin-3-yl)quinolin-4-yl)methanone

SMILES: O=C(N1CCCCC1)c1cc(nc2ccccc12)-c1cccnc1

InChI Key: InChIKey=FVUMTXYDTUEXFI-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 = 50273712   

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))	BDBM50273712 (CHEMBL457021 | Piperidin-1-yl(2-(pyridin-3-yl)quin...) Show SMILES O=C(N1CCCCC1)c1cc(nc2ccccc12)-c1cccnc1 Show InChI InChI=1S/C20H19N3O/c24-20(23-11-4-1-5-12-23)17-13-19(15-7-6-10-21-14-15)22-18-9-3-2-8-16(17)18/h2-3,6-10,13-14H,1,4-5,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.74E+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