Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50042931'   

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))	BDBM50042931 (CHEMBL3354995 | US9512126, 16) Show SMILES COc1ccc(cc1)C(F)(F)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1 Show InChI InChI=1S/C28H26F5N5O2/c1-16-13-17(3-10-21(16)26(39)36-19-6-7-19)23-15-35-25-22(34-12-11-27(29,30)31)14-24(37-38(23)25)28(32,33)18-4-8-20(40-2)9-5-18/h3-5,8-10,13-15,19,34H,6-7,11-12H2,1-2H3,(H,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin) activity by TR-FRET assay				ACS Med Chem Lett 6: 7-8 (2015) Article DOI: 10.1021/ml5003037 BindingDB Entry DOI: 10.7270/Q2GF0W40
					More data for this Ligand-Target Pair