Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM230965'   

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))	BDBM230965 (US10188642, Example 91 | US9334286, 91) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC(F)F)c1 Show InChI InChI=1S/C28H29F2N5O4/c1-28(2,37)16-35-13-21(12-32-35)17-4-5-19-11-31-25(10-20(19)8-17)33-23-7-6-18(9-24(23)39-27(29)30)26(36)34-14-22(15-34)38-3/h4-13,22,27,37H,14-16H2,1-3H3,(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	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))	BDBM230965 (US10188642, Example 91 | US9334286, 91) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC(F)F)c1 Show InChI InChI=1S/C28H29F2N5O4/c1-28(2,37)16-35-13-21(12-32-35)17-4-5-19-11-31-25(10-20(19)8-17)33-23-7-6-18(9-24(23)39-27(29)30)26(36)34-14-22(15-34)38-3/h4-13,22,27,37H,14-16H2,1-3H3,(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	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