BDBM50393273 CHEMBL2152024

SMILES: COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncn2)cc1

InChI Key: InChIKey=QJLIXBJBVXVIBP-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 = 50393273   

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))	BDBM50393273 (CHEMBL2152024) Show SMILES COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncn2)cc1 Show InChI InChI=1S/C21H16N4O2/c1-27-15-8-6-14(7-9-15)24-21(26)17-12-20(19-10-11-22-13-23-19)25-18-5-3-2-4-16(17)18/h2-13H,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+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 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