Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50569974'   

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))	BDBM50569974 (CHEMBL4861308) Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(C)=O)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(20.4,-19.86,;21.73,-19.08,;21.73,-17.54,;20.39,-16.78,;20.38,-15.24,;21.71,-14.46,;23.05,-15.23,;23.06,-16.77,;24.39,-17.52,;25.72,-16.75,;25.72,-15.21,;27.05,-14.43,;28.38,-15.2,;29.71,-14.42,;29.71,-12.88,;31.05,-15.18,;31.06,-16.72,;32.4,-17.48,;29.73,-17.5,;29.74,-19.04,;28.41,-19.82,;28.42,-21.36,;29.75,-22.12,;31.08,-21.34,;31.08,-19.8,;29.77,-23.66,;31.1,-24.42,;31.11,-25.96,;32.43,-23.64,;28.39,-16.74,;27.06,-17.51,;19.04,-14.47,;17.71,-15.25,;16.38,-14.49,;16.37,-12.95,;15.03,-12.19,;17.7,-12.17,;19.04,-12.93,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113023 BindingDB Entry DOI: 10.7270/Q2GM8C33
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