Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM230929'   

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))	BDBM230929 (US9334286, 55) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nnc2CN(CCn12)C(=O)OC(C)(C)C Show InChI InChI=1S/C33H38N8O4/c1-32(2,3)45-31(42)39-11-12-41-29(19-39)37-38-30(41)22-9-10-26(27(14-22)44-6)36-28-15-24-13-21(7-8-23(24)16-34-28)25-17-35-40(18-25)20-33(4,5)43/h7-10,13-18,43H,11-12,19-20H2,1-6H3,(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair