Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50332159'   

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))	BDBM50332159 ((S)-2-(4-carbamoylphenyl)-4-(piperidin-3-ylamino)t...) Show SMILES NC(=O)c1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C20H21N5O2S/c21-18(26)12-5-3-11(4-6-12)16-8-14-17(28-16)15(19(22)27)10-24-20(14)25-13-2-1-7-23-9-13/h3-6,8,10,13,23H,1-2,7,9H2,(H2,21,26)(H2,22,27)(H,24,25)/t13-/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	1	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
					More data for this Ligand-Target Pair				3D Structure (docked)