Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50053333'   

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))	BDBM50053333 (CHEMBL3330261) Show SMILES CCc1cccc(CC)c1NC(=O)N(C)c1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C25H27N5O3S/c1-4-16-8-6-9-17(5-2)23(16)27-25(31)30(3)19-12-13-22-21(15-19)24(29-28-22)18-10-7-11-20(14-18)34(26,32)33/h6-15H,4-5H2,1-3H3,(H,27,31)(H,28,29)(H2,26,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay				Bioorg Med Chem 22: 4968-97 (2014) Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2
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