Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50183031'   

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))	BDBM50183031 (CHEMBL3818485) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnn2c(NCC3CCOCC3)nc(OC3CCCC3)nc12 Show InChI InChI=1S/C26H34N6O3/c1-17(2)29-24(33)20-9-7-19(8-10-20)22-16-28-32-23(22)30-26(35-21-5-3-4-6-21)31-25(32)27-15-18-11-13-34-14-12-18/h7-10,16-18,21H,3-6,11-15H2,1-2H3,(H,29,33)(H,27,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of TTK (unknown origin)				Bioorg Med Chem Lett 26: 3562-6 (2016) Article DOI: 10.1016/j.bmcl.2016.06.021 BindingDB Entry DOI: 10.7270/Q28G8NNB
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