Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50183028'   

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))	BDBM50183028 (CHEMBL3817922) Show SMILES CN(C1CCCCC1)c1nc(NCC2CCOCC2)n2ncc(-c3ccc(C(=O)NC4CC4)c(F)c3)c2n1 Show InChI InChI=1S/C28H36FN7O2/c1-35(21-5-3-2-4-6-21)28-33-25-23(19-7-10-22(24(29)15-19)26(37)32-20-8-9-20)17-31-36(25)27(34-28)30-16-18-11-13-38-14-12-18/h7,10,15,17-18,20-21H,2-6,8-9,11-14,16H2,1H3,(H,32,37)(H,30,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of TTK (unknown origin)				Bioorg Med Chem Lett 26: 3562-6 (2016) Article DOI: 10.1016/j.bmcl.2016.06.021 BindingDB Entry DOI: 10.7270/Q28G8NNB
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