Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM230917'   

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))	BDBM230917 (US10188642, Example 43 | US9334286, 43) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC2(O)CCC2)c1)-c1cnc(C)n1C Show InChI InChI=1S/C29H30N6O2/c1-19-30-16-26(34(19)2)21-7-8-25(27(12-21)37-3)33-28-13-23-11-20(5-6-22(23)14-31-28)24-15-32-35(17-24)18-29(36)9-4-10-29/h5-8,11-17,36H,4,9-10,18H2,1-3H3,(H,31,33)	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	n/a	n/a
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 US10188642 (2019) BindingDB Entry DOI: 10.7270/Q2D50Q2N
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230917 (US10188642, Example 43 | US9334286, 43) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC2(O)CCC2)c1)-c1cnc(C)n1C Show InChI InChI=1S/C29H30N6O2/c1-19-30-16-26(34(19)2)21-7-8-25(27(12-21)37-3)33-28-13-23-11-20(5-6-22(23)14-31-28)24-15-32-35(17-24)18-29(36)9-4-10-29/h5-8,11-17,36H,4,9-10,18H2,1-3H3,(H,31,33)	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