BDBM50273444 CHEMBL463976::N-Phenyl-2-(pyridin-4-yl)quinoline-4-carboxamide

SMILES: O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccncc1

InChI Key: InChIKey=HNHSNBXXGBXNBF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50273444   

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))	BDBM50273444 (CHEMBL463976 | N-Phenyl-2-(pyridin-4-yl)quinoline-...) Show SMILES O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccncc1 Show InChI InChI=1S/C21H15N3O/c25-21(23-16-6-2-1-3-7-16)18-14-20(15-10-12-22-13-11-15)24-19-9-5-4-8-17(18)19/h1-14H,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50273444 (CHEMBL463976 | N-Phenyl-2-(pyridin-4-yl)quinoline-...) Show SMILES O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccncc1 Show InChI InChI=1S/C21H15N3O/c25-21(23-16-6-2-1-3-7-16)18-14-20(15-10-12-22-13-11-15)24-19-9-5-4-8-17(18)19/h1-14H,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	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 recombinant CYP3A4 NF-14 expressed in Escherichia coli assessed as formation of 6-beta-hydroxytestosterone using testosterone as substr...				J Med Chem 55: 280-90 (2012) Article DOI: 10.1021/jm201207h BindingDB Entry DOI: 10.7270/Q2251K9D
					More data for this Ligand-Target Pair