Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50223469'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50223469 (9-(4-(aminomethyl)phenyl)-6-(3-aminopropyl)benzo[h...) Show SMILES NCCCc1cc2cc[nH]c(=O)c2c2cc(ccc12)-c1ccc(CN)cc1 Show InChI InChI=1S/C23H23N3O/c24-10-1-2-18-12-19-9-11-26-23(27)22(19)21-13-17(7-8-20(18)21)16-5-3-15(14-25)4-6-16/h3-9,11-13H,1-2,10,14,24-25H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Chk1 expressed in baculovirus by time-resolved fluorescence assay				Bioorg Med Chem Lett 17: 6280-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.007 BindingDB Entry DOI: 10.7270/Q2W958ZJ
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