Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50183033'   

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))	BDBM50183033 (CHEMBL3818914) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C26H33N7O2/c34-24(29-21-9-10-21)19-7-5-18(6-8-19)22-16-28-33-23(22)31-25(30-20-3-1-2-4-20)32-26(33)27-15-17-11-13-35-14-12-17/h5-8,16-17,20-21H,1-4,9-15H2,(H,29,34)(H2,27,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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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