Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50569980'   

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))	BDBM50569980 (CHEMBL4873395) Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C34CC5CC(CC(C5)C3)C4)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,TLB:26:28:31:35.33.34,THB:33:32:29:35.34.36,33:34:31.32.37:29,36:34:31:37.28.29,36:28:31:35.33.34,(12.65,-13.19,;13.97,-12.39,;13.95,-10.85,;12.6,-10.1,;12.59,-8.56,;13.9,-7.77,;15.25,-8.52,;15.27,-10.06,;16.61,-10.81,;17.93,-10.02,;17.91,-8.48,;19.22,-7.69,;20.57,-8.45,;21.9,-7.65,;21.87,-6.11,;23.25,-8.41,;23.27,-9.95,;24.61,-10.7,;21.94,-10.74,;21.97,-12.28,;20.64,-13.07,;20.66,-14.62,;22.01,-15.37,;23.33,-14.58,;23.31,-13.03,;22.03,-16.91,;23.38,-17.66,;24.7,-16.87,;23.4,-19.2,;22.12,-19.66,;22.12,-21.06,;20.99,-22.28,;22.42,-21.88,;23.75,-22.42,;24.71,-21.21,;23.39,-21.54,;24.73,-19.75,;22.41,-20.37,;20.6,-9.99,;19.27,-10.78,;11.23,-7.8,;9.91,-8.59,;8.56,-7.85,;8.54,-6.3,;7.19,-5.55,;9.86,-5.51,;11.22,-6.27,)| 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	0.560	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
					More data for this Ligand-Target Pair