Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM194304'   

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))	BDBM194304 (US9199999, 40) Show SMILES CNC(=O)N(C)CCC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1 Show InChI InChI=1S/C27H33N7O2/c1-18(2)15-29-24-25-30-16-23(19-8-10-20(11-9-19)26(35)32-21-12-13-21)34(25)17-22(31-24)7-5-6-14-33(4)27(36)28-3/h8-11,16-18,21H,6,12-15H2,1-4H3,(H,28,36)(H,29,31)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	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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