Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194265'   

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))	BDBM194265 (US9199999, 3) Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)S(=O)(=O)NC1CC1)C#Cc1ccccc1F Show InChI InChI=1S/C27H26FN5O2S/c1-18(2)15-29-26-27-30-16-25(20-8-13-23(14-9-20)36(34,35)32-21-11-12-21)33(27)17-22(31-26)10-7-19-5-3-4-6-24(19)28/h3-6,8-9,13-14,16-18,21,32H,11-12,15H2,1-2H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.00E+4	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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