Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194229'   

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))	BDBM194229 (US9199999, 57) Show SMILES OCC#Cc1cn2c(cnc2c(NCCC(F)(F)F)n1)-c1ccc(cc1)-c1cnc([nH]1)C1CC1 Show InChI InChI=1S/C24H21F3N6O/c25-24(26,27)9-10-28-22-23-30-13-20(33(23)14-18(31-22)2-1-11-34)16-5-3-15(4-6-16)19-12-29-21(32-19)17-7-8-17/h3-6,12-14,17,34H,7-11H2,(H,28,31)(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	7.10	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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