Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50386841'   

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))	BDBM50386841 (CHEMBL2047969) Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC1)C(=O)N1CCC(C1)N(C)C Show InChI InChI=1S/C30H43N9O2/c1-37(2)23-13-16-39(18-23)29(40)20-11-14-38(15-12-20)22-9-10-24(25(17-22)41-3)34-30-35-27-26(31-19-32-27)28(36-30)33-21-7-5-4-6-8-21/h9-10,17,19-21,23H,4-8,11-16,18H2,1-3H3,(H3,31,32,33,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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