Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50386819'   

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))	BDBM50386819 (CHEMBL2047946) Show SMILES Cc1cc(ccc1Nc1nc(NC2CCC(CN)CC2)c2[nH]cnc2n1)N1CCOCC1 |(40.97,-2.37,;40.98,-.83,;42.31,-.07,;42.32,1.48,;40.97,2.25,;39.65,1.48,;39.65,-.06,;38.31,-.83,;36.98,-.05,;36.98,1.49,;35.65,2.26,;35.66,3.8,;36.99,4.57,;38.33,3.79,;39.66,4.55,;39.67,6.09,;41.01,6.85,;42.34,6.07,;38.34,6.87,;37,6.1,;34.32,1.49,;32.85,1.97,;31.94,.72,;32.85,-.53,;34.32,-.05,;35.65,-.82,;43.65,2.24,;44.99,1.47,;46.32,2.23,;46.33,3.77,;44.99,4.55,;43.65,3.78,)| Show InChI InChI=1S/C23H32N8O/c1-15-12-18(31-8-10-32-11-9-31)6-7-19(15)28-23-29-21-20(25-14-26-21)22(30-23)27-17-4-2-16(13-24)3-5-17/h6-7,12,14,16-17H,2-5,8-11,13,24H2,1H3,(H3,25,26,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of Mps1				Bioorg Med Chem Lett 22: 4377-85 (2012) Article DOI: 10.1016/j.bmcl.2012.04.131 BindingDB Entry DOI: 10.7270/Q2PZ59V9
					More data for this Ligand-Target Pair