BDBM50393265 CHEMBL2152016

SMILES: Cc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncc2)cc1

InChI Key: InChIKey=DEGVXZZBCFHOPP-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 = 50393265   

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 3A4 (Homo sapiens (Human))	BDBM50393265 (CHEMBL2152016) Show SMILES Cc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncc2)cc1 Show InChI InChI=1S/C22H17N3O/c1-15-6-8-17(9-7-15)24-22(26)19-14-21(16-10-12-23-13-11-16)25-20-5-3-2-4-18(19)20/h2-14H,1H3,(H,24,26)	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	540	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