Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194249'   

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))	BDBM194249 (US9199999, 65) Show SMILES Cc1cc(ccc1C(=O)NCC(F)F)-c1cnc2c(NCCC(F)(F)F)nc(cn12)C#C Show InChI InChI=1S/C21H18F5N5O/c1-3-14-11-31-16(9-28-19(31)18(30-14)27-7-6-21(24,25)26)13-4-5-15(12(2)8-13)20(32)29-10-17(22)23/h1,4-5,8-9,11,17H,6-7,10H2,2H3,(H,27,30)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	215	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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