Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50183041'   

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))	BDBM50183041 (CHEMBL3819003) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCCN3CCOCC3)nc(Oc3cccc(F)c3F)nc12 Show InChI InChI=1S/C28H29F2N7O3/c1-17-15-18(5-8-20(17)26(38)33-19-6-7-19)21-16-32-37-25(21)34-28(40-23-4-2-3-22(29)24(23)30)35-27(37)31-9-10-36-11-13-39-14-12-36/h2-5,8,15-16,19H,6-7,9-14H2,1H3,(H,33,38)(H,31,34,35)	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	2.20	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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