BDBM50393270 CHEMBL2152021

SMILES: CN(C)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cnccn2)cc1

InChI Key: InChIKey=OIDAIHJNNQUQOI-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 = 50393270   

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))	BDBM50393270 (CHEMBL2152021) Show SMILES CN(C)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cnccn2)cc1 Show InChI InChI=1S/C22H19N5O/c1-27(2)16-9-7-15(8-10-16)25-22(28)18-13-20(21-14-23-11-12-24-21)26-19-6-4-3-5-17(18)19/h3-14H,1-2H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59E+4	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