Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50569985'   

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))	BDBM50569985 (CHEMBL4874692) Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(CC)cc1=O |r,wU:8.11,5.4,(26.59,-17.84,;26.61,-19.38,;25.28,-20.16,;25.3,-21.7,;23.94,-19.4,;23.93,-17.86,;22.59,-17.11,;22.57,-15.56,;23.9,-14.78,;25.24,-15.54,;25.25,-17.08,;23.88,-13.24,;22.54,-12.48,;21.22,-13.27,;19.87,-12.51,;18.54,-13.29,;17.2,-12.54,;17.19,-11,;15.85,-10.24,;14.52,-11.02,;14.54,-12.56,;15.88,-13.32,;15.89,-14.86,;14.57,-15.64,;13.17,-10.26,;11.85,-11.05,;10.51,-10.29,;10.49,-8.75,;9.15,-8,;11.82,-7.97,;13.16,-8.72,;19.85,-10.97,;21.18,-10.19,;22.53,-10.94,;23.85,-10.16,;23.84,-8.62,;25.16,-7.84,;25.19,-10.92,;25.21,-12.46,;26.55,-13.22,)| 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	1.5	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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