BDBM50218737 3-(3-ethoxy-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one::CHEMBL230445

SMILES: CCOc1cccc(c1)-c1ccc2c(Nc3ccccc3NC2=O)c1

InChI Key: InChIKey=XYHMVUUDJPBLHH-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 = 50218737   

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))	BDBM50218737 (3-(3-ethoxy-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]...) Show SMILES CCOc1cccc(c1)-c1ccc2c(Nc3ccccc3NC2=O)c1 Show InChI InChI=1S/C21H18N2O2/c1-2-25-16-7-5-6-14(12-16)15-10-11-17-20(13-15)22-18-8-3-4-9-19(18)23-21(17)24/h3-13,22H,2H2,1H3,(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	>1.00E+4	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)