Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50234187'   

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))	BDBM50234187 (CHEMBL4093766) Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CCN(C3)C(=O)C=C)c2n1)N1CCN(C)CC1 |r| Show InChI InChI=1S/C27H33N7O3/c1-5-24(35)33-9-8-20(17-33)34-25(36)14-18(2)21-16-28-27(30-26(21)34)29-22-7-6-19(15-23(22)37-4)32-12-10-31(3)11-13-32/h5-7,14-16,20H,1,8-13,17H2,2-4H3,(H,28,29,30)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	190	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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