Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194251'   

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))	BDBM194251 (US9199999, 67) Show SMILES Cc1cc(ccc1C(=O)NC1(CC1)C#N)-c1cnc2c(NCCC(F)(F)F)nc(cn12)C#C Show InChI InChI=1S/C23H19F3N6O/c1-3-16-12-32-18(11-29-20(32)19(30-16)28-9-8-23(24,25)26)15-4-5-17(14(2)10-15)21(33)31-22(13-27)6-7-22/h1,4-5,10-12H,6-9H2,2H3,(H,28,30)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	165	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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