Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM230977'   

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))	BDBM230977 (US10188642, Example 104 | US9334286, 104) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3nc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC)c1 Show InChI InChI=1S/C27H30N6O4/c1-27(2,35)16-33-13-19(12-29-33)21-7-6-18-11-28-25(10-23(18)30-21)31-22-8-5-17(9-24(22)37-4)26(34)32-14-20(15-32)36-3/h5-13,20,35H,14-16H2,1-4H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM230977 (US10188642, Example 104 | US9334286, 104) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3nc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC)c1 Show InChI InChI=1S/C27H30N6O4/c1-27(2,35)16-33-13-19(12-29-33)21-7-6-18-11-28-25(10-23(18)30-21)31-22-8-5-17(9-24(22)37-4)26(34)32-14-20(15-32)36-3/h5-13,20,35H,14-16H2,1-4H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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