BDBM50218731 3-(3-cyano-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one::CHEMBL389552

SMILES: O=C1Nc2ccccc2Nc2cc(ccc12)-c1cccc(c1)C#N

InChI Key: InChIKey=OUEHNXXWOQYILW-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 = 50218731   

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))	BDBM50218731 (3-(3-cyano-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]d...) Show SMILES O=C1Nc2ccccc2Nc2cc(ccc12)-c1cccc(c1)C#N Show InChI InChI=1S/C20H13N3O/c21-12-13-4-3-5-14(10-13)15-8-9-16-19(11-15)22-17-6-1-2-7-18(17)23-20(16)24/h1-11,22H,(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	970	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)