Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM213805'   

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))	BDBM213805 (US9284317, 1-17) Show SMILES C\C=C\c1cn2c(cnc2c(NCC2CCCO2)n1)-c1ccc(C(=O)NC2CC2)c(F)c1 Show InChI InChI=1S/C24H26FN5O2/c1-2-4-17-14-30-21(13-27-23(30)22(28-17)26-12-18-5-3-10-32-18)15-6-9-19(20(25)11-15)24(31)29-16-7-8-16/h2,4,6,9,11,13-14,16,18H,3,5,7-8,10,12H2,1H3,(H,26,28)(H,29,31)/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	99.2	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
					More data for this Ligand-Target Pair