BDBM91877 Chk1_157

SMILES: Fc1cc(F)cc(Cn2cc(-c3ccc4c(Nc5ccc(CCOc6ccc(cc6)N6CCOCC6)cc5NC4=O)c3)c3ccncc23)c1

InChI Key: InChIKey=JIVPBQZUQYHPRB-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 = 91877   

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))	BDBM91877 (Chk1_157) Show SMILES Fc1cc(F)cc(Cn2cc(-c3ccc4c(Nc5ccc(CCOc6ccc(cc6)N6CCOCC6)cc5NC4=O)c3)c3ccncc23)c1 Show InChI InChI=1S/C39H33F2N5O3/c40-28-17-26(18-29(41)21-28)23-46-24-34(32-9-11-42-22-38(32)46)27-2-7-33-36(20-27)43-35-8-1-25(19-37(35)44-39(33)47)10-14-49-31-5-3-30(4-6-31)45-12-15-48-16-13-45/h1-9,11,17-22,24,43H,10,12-16,23H2,(H,44,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	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
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