Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50223452'   

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))	BDBM50223452 (6-(3-aminopropyl)-4-(2-hydroxyphenyl)-9-(1H-pyrazo...) Show SMILES NCCCc1cc2c(c[nH]c(=O)c2c2cc(ccc12)-c1cn[nH]c1)-c1ccccc1O Show InChI InChI=1S/C25H22N4O2/c26-9-3-4-16-11-21-22(19-5-1-2-6-23(19)30)14-27-25(31)24(21)20-10-15(7-8-18(16)20)17-12-28-29-13-17/h1-2,5-8,10-14,30H,3-4,9,26H2,(H,27,31)(H,28,29)	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	2	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
					More data for this Ligand-Target Pair				3D Structure (docked)