Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50386826'   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50386826 (CHEMBL2047953) Show SMILES CS(=O)(=O)c1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 Show InChI InChI=1S/C22H29N7O3S/c1-33(30,31)18-13-16(29-9-11-32-12-10-29)7-8-17(18)26-22-27-20-19(23-14-24-20)21(28-22)25-15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of Mps1				Bioorg Med Chem Lett 22: 4377-85 (2012) Article DOI: 10.1016/j.bmcl.2012.04.131 BindingDB Entry DOI: 10.7270/Q2PZ59V9
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