BDBM50218721 3-(4-chloro-3-methoxy-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]-diazepin-11-one::CHEMBL397683

SMILES: COc1cc(ccc1Cl)-c1ccc2c(Nc3ccccc3NC2=O)c1

InChI Key: InChIKey=KCEZJNQJCAEURY-UHFFFAOYSA-N

Data: 1 IC50

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 = 50218721   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50218721 (3-(4-chloro-3-methoxy-phenyl)-5,10-dihydro-dibenzo...) Show SMILES COc1cc(ccc1Cl)-c1ccc2c(Nc3ccccc3NC2=O)c1 Show InChI InChI=1S/C20H15ClN2O2/c1-25-19-11-13(7-9-15(19)21)12-6-8-14-18(10-12)22-16-4-2-3-5-17(16)23-20(14)24/h2-11,22H,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1				J Med Chem 50: 4162-76 (2007) Article DOI: 10.1021/jm070105d BindingDB Entry DOI: 10.7270/Q22J6BKS
					More data for this Ligand-Target Pair				3D Structure (docked)