Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194232'   

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))	BDBM194232 (US9199999, 60) Show SMILES NCCCNc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)C#CO Show InChI InChI=1S/C23H23N7O/c24-9-1-10-25-22-23-27-13-20(30(23)14-18(28-22)8-11-31)16-4-2-15(3-5-16)19-12-26-21(29-19)17-6-7-17/h2-5,12-14,17,31H,1,6-7,9-10,24H2,(H,25,28)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	230	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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