Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50433486'   

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))	BDBM50433486 (CHEMBL2381102) Show SMILES COc1ccc(cc1)-c1cc(Nc2nc(cs2)C(=O)Nc2ccccc2N2CCNCC2)[nH]n1 Show InChI InChI=1S/C24H25N7O2S/c1-33-17-8-6-16(7-9-17)19-14-22(30-29-19)28-24-27-20(15-34-24)23(32)26-18-4-2-3-5-21(18)31-12-10-25-11-13-31/h2-9,14-15,25H,10-13H2,1H3,(H,26,32)(H2,27,28,29,30)	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 recombinant His-tagged CHK1 (unknown origin) expressed in baculovirus expression system using biotin-RSGLYRSPSMPENLNRPR as substrate af...				Bioorg Med Chem Lett 23: 2590-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.108 BindingDB Entry DOI: 10.7270/Q2125V19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433486 (CHEMBL2381102) Show SMILES COc1ccc(cc1)-c1cc(Nc2nc(cs2)C(=O)Nc2ccccc2N2CCNCC2)[nH]n1 Show InChI InChI=1S/C24H25N7O2S/c1-33-17-8-6-16(7-9-17)19-14-22(30-29-19)28-24-27-20(15-34-24)23(32)26-18-4-2-3-5-21(18)31-12-10-25-11-13-31/h2-9,14-15,25H,10-13H2,1H3,(H,26,32)(H2,27,28,29,30)	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	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 in human U2OS cells assessed as phosphorylation of H2AX after 2 hrs by FITC/propidium iodide staining-based immunofluorescence ass...				Bioorg Med Chem Lett 23: 2590-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.108 BindingDB Entry DOI: 10.7270/Q2125V19
					More data for this Ligand-Target Pair