Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194313'   

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))	BDBM194313 (US9199999, 51) Show SMILES OCC#Cc1cn2c(cnc2c(NCCCC(F)(F)F)n1)-c1ccc(cc1)-c1cnc([nH]1)C1CC1 Show InChI InChI=1S/C25H23F3N6O/c26-25(27,28)10-2-11-29-23-24-31-14-21(34(24)15-19(32-23)3-1-12-35)17-6-4-16(5-7-17)20-13-30-22(33-20)18-8-9-18/h4-7,13-15,18,35H,2,8-12H2,(H,29,32)(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	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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