Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM213799'   

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))	BDBM213799 (US9284317, 1-11) Show SMILES C\C=C\c1cn2c(cnc2c(NCCC(F)(F)F)n1)-c1ccc(C(=O)NC2CC2)c(Cl)c1 Show InChI InChI=1S/C22H21ClF3N5O/c1-2-3-15-12-31-18(11-28-20(31)19(29-15)27-9-8-22(24,25)26)13-4-7-16(17(23)10-13)21(32)30-14-5-6-14/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,27,29)(H,30,32)/b3-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34.3	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284317 (2016) BindingDB Entry DOI: 10.7270/Q2HM5799
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