Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50332162'   

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))	BDBM50332162 ((S)-4-(piperidin-3-ylamino)-2-(3-(pyrrolidin-1-yl)...) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(c1)N1CCCC1 |r| Show InChI InChI=1S/C23H27N5OS/c24-22(29)19-14-26-23(27-16-6-4-8-25-13-16)18-12-20(30-21(18)19)15-5-3-7-17(11-15)28-9-1-2-10-28/h3,5,7,11-12,14,16,25H,1-2,4,6,8-10,13H2,(H2,24,29)(H,26,27)/t16-/m0/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting				Bioorg Med Chem Lett 20: 7216-21 (2010) Article DOI: 10.1016/j.bmcl.2010.10.105 BindingDB Entry DOI: 10.7270/Q2QV3MR6
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