Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50569975'   

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))	BDBM50569975 (CHEMBL4860430) Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(19.69,-19.78,;21.01,-18.98,;20.99,-17.44,;19.64,-16.7,;19.61,-15.16,;20.93,-14.36,;22.27,-15.11,;22.31,-16.65,;23.65,-17.39,;24.97,-16.59,;24.94,-15.05,;26.26,-14.26,;27.61,-15.01,;28.93,-14.21,;28.9,-12.67,;30.28,-14.96,;30.31,-16.5,;31.65,-17.25,;28.99,-17.29,;29.01,-18.83,;27.7,-19.63,;27.73,-21.17,;29.07,-21.91,;30.39,-21.12,;30.36,-19.58,;29.09,-23.46,;30.44,-24.2,;30.47,-25.74,;31.77,-23.41,;32.51,-22.06,;33.31,-23.38,;27.64,-16.55,;26.32,-17.34,;18.26,-14.41,;16.94,-15.21,;15.59,-14.46,;15.57,-12.92,;14.22,-12.18,;16.88,-12.13,;18.23,-12.87,)| 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	0.410	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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