BDBM50414074 CHEMBL559425

SMILES: COc1cccc(c1)-c1ccc2c(Nc3ccc(CCC(=O)N(C)C)cc3NC2=O)c1

InChI Key: InChIKey=AXPBXHYJISQJSG-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 = 50414074   

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))	BDBM50414074 (CHEMBL559425) Show SMILES COc1cccc(c1)-c1ccc2c(Nc3ccc(CCC(=O)N(C)C)cc3NC2=O)c1 Show InChI InChI=1S/C25H25N3O3/c1-28(2)24(29)12-8-16-7-11-21-23(13-16)27-25(30)20-10-9-18(15-22(20)26-21)17-5-4-6-19(14-17)31-3/h4-7,9-11,13-15,26H,8,12H2,1-3H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
					More data for this Ligand-Target Pair