Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50569981'   

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))	BDBM50569981 (CHEMBL4868353) Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)c3ccccc3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(27.01,-14.68,;28.34,-13.91,;28.33,-12.37,;27,-11.6,;26.99,-10.06,;28.33,-9.29,;29.66,-10.05,;29.67,-11.59,;31.01,-12.35,;32.33,-11.58,;32.33,-10.04,;33.66,-9.27,;35,-10.03,;36.33,-9.26,;36.32,-7.72,;37.66,-10.02,;37.67,-11.56,;39,-12.33,;36.34,-12.34,;36.34,-13.88,;35.01,-14.65,;35.02,-16.19,;36.35,-16.96,;37.69,-16.18,;37.68,-14.64,;36.36,-18.5,;37.69,-19.26,;37.7,-20.8,;39.03,-18.49,;39.02,-16.95,;40.35,-16.18,;41.69,-16.94,;41.69,-18.48,;40.36,-19.26,;35,-11.57,;33.67,-12.35,;25.65,-9.3,;24.33,-10.07,;22.99,-9.31,;22.99,-7.77,;21.65,-7,;24.32,-6.99,;25.65,-7.76,)| 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	0.300	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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