Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194261'   

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))	BDBM194261 (US9199999, 75) Show SMILES COC1(CC1)NC(=O)c1ccc(cc1C)-c1cnc2c(NCCC(F)(F)F)nc(cn12)C#CCO Show InChI InChI=1S/C24H24F3N5O3/c1-15-12-16(5-6-18(15)22(34)31-23(35-2)7-8-23)19-13-29-21-20(28-10-9-24(25,26)27)30-17(4-3-11-33)14-32(19)21/h5-6,12-14,33H,7-11H2,1-2H3,(H,28,30)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	310	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...				US Patent US9199999 (2015) BindingDB Entry DOI: 10.7270/Q2348J68
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