Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50386824'   

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))	BDBM50386824 (CHEMBL2047951) Show SMILES Cc1cc(ccc1Nc1nc(NC2CCC(O)CC2)c2[nH]cnc2n1)N1CCOCC1 |(42.48,-14.05,;42.49,-12.51,;43.82,-11.74,;43.82,-10.2,;42.48,-9.43,;41.15,-10.2,;41.16,-11.73,;39.82,-12.5,;38.49,-11.73,;38.49,-10.19,;37.16,-9.41,;37.16,-7.87,;38.5,-7.1,;39.84,-7.88,;41.17,-7.12,;41.18,-5.58,;42.52,-4.82,;39.85,-4.81,;38.5,-5.57,;35.83,-10.18,;34.36,-9.7,;33.45,-10.95,;34.36,-12.21,;35.83,-11.73,;37.16,-12.49,;45.16,-9.43,;46.5,-10.21,;47.83,-9.44,;47.84,-7.9,;46.5,-7.13,;45.16,-7.89,)| Show InChI InChI=1S/C22H29N7O2/c1-14-12-16(29-8-10-31-11-9-29)4-7-18(14)26-22-27-20-19(23-13-24-20)21(28-22)25-15-2-5-17(30)6-3-15/h4,7,12-13,15,17,30H,2-3,5-6,8-11H2,1H3,(H3,23,24,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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