Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK/Glutathione S-transferase P' and Ligand = 'BDBM259466'   

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/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259466 (US9512126, 3) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(O)c1cccc(F)c1O |w:29.33| Show InChI InChI=1S/C27H25F4N5O3/c1-14-11-15(5-8-17(14)26(39)34-16-6-7-16)22-13-33-25-21(32-10-9-27(29,30)31)12-20(35-36(22)25)24(38)18-3-2-4-19(28)23(18)37/h2-5,8,11-13,16,24,32,37-38H,6-7,9-10H2,1H3,(H,34,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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