BDBM50218741 8-amino-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b,e][1,4]-diazepin-11(10H)-one::CHEMBL428566

SMILES: COc1cc(ccc1N)-c1ccc2c(Nc3ccc(N)cc3NC2=O)c1

InChI Key: InChIKey=IHERKABXEGDQKJ-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 = 50218741   

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))	BDBM50218741 (8-amino-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b,e...) Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(N)cc3NC2=O)c1 Show InChI InChI=1S/C20H18N4O2/c1-26-19-9-12(3-6-15(19)22)11-2-5-14-17(8-11)23-16-7-4-13(21)10-18(16)24-20(14)25/h2-10,23H,21-22H2,1H3,(H,24,25)	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	17	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)