Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194230'   

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))	BDBM194230 (US9199999, 58) Show SMILES OCC#Cc1cn2c(cnc2c(NCC2CCC2)n1)-c1ccc(cc1)-c1cnc([nH]1)C1CC1 Show InChI InChI=1S/C26H26N6O/c33-12-2-5-21-16-32-23(15-29-26(32)25(30-21)27-13-17-3-1-4-17)19-8-6-18(7-9-19)22-14-28-24(31-22)20-10-11-20/h6-9,14-17,20,33H,1,3-4,10-13H2,(H,27,30)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.30	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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