Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50569984'   

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))	BDBM50569984 (CHEMBL4866294) Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2ccc1=O |r,wU:8.11,5.4,(20.22,-28.6,;20.22,-30.14,;18.87,-30.9,;18.86,-32.44,;17.54,-30.12,;17.55,-28.58,;16.22,-27.8,;16.23,-26.26,;17.58,-25.5,;18.91,-26.28,;18.9,-27.82,;17.59,-23.96,;16.26,-23.18,;14.92,-23.94,;13.6,-23.16,;12.26,-23.92,;10.92,-23.14,;10.94,-21.6,;9.61,-20.82,;8.27,-21.58,;8.26,-23.12,;9.59,-23.9,;9.58,-25.44,;8.23,-26.2,;6.94,-20.8,;5.6,-21.56,;4.28,-20.78,;4.28,-19.24,;2.96,-18.46,;5.62,-18.48,;6.95,-19.26,;13.61,-21.62,;14.94,-20.86,;16.27,-21.64,;17.62,-20.88,;18.93,-21.66,;18.93,-23.2,;20.25,-23.98,)| 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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