Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194237'   

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))	BDBM194237 (US9199999, 61) Show SMILES FC(F)(F)CCNc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)C#CCN1CCS(=O)(=O)CC1 Show InChI InChI=1S/C28H28F3N7O2S/c29-28(30,31)9-10-32-26-27-34-17-24(20-5-3-19(4-6-20)23-16-33-25(36-23)21-7-8-21)38(27)18-22(35-26)2-1-11-37-12-14-41(39,40)15-13-37/h3-6,16-18,21H,7-15H2,(H,32,35)(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.80	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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