Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194305'   

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))	BDBM194305 (US9199999, 43) Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1ccc(cc1)C(N)=O Show InChI InChI=1S/C29H28N6O2/c1-18(2)15-31-27-28-32-16-25(20-8-10-22(11-9-20)29(37)34-23-13-14-23)35(28)17-24(33-27)12-5-19-3-6-21(7-4-19)26(30)36/h3-4,6-11,16-18,23H,13-15H2,1-2H3,(H2,30,36)(H,31,33)(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	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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