Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194271'   

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))	BDBM194271 (US9199999, 9) Show SMILES OCCCCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CC1(O)CCCC1 Show InChI InChI=1S/C27H31N5O3/c33-16-4-3-15-28-24-25-29-17-23(19-5-7-20(8-6-19)26(34)31-21-9-10-21)32(25)18-22(30-24)11-14-27(35)12-1-2-13-27/h5-8,17-18,21,33,35H,1-4,9-10,12-13,15-16H2,(H,28,30)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	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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