Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM230909'   

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))	BDBM230909 (US10188642, Example 35 | US9334286, 35) Show SMILES COCCn1c(C)ncc1-c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC)c1 Show InChI InChI=1S/C30H34N6O3/c1-20-31-17-27(36(20)10-11-38-4)22-8-9-26(28(13-22)39-5)34-29-14-24-12-21(6-7-23(24)15-32-29)25-16-33-35(18-25)19-30(2,3)37/h6-9,12-18,37H,10-11,19H2,1-5H3,(H,32,34)	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))	BDBM230909 (US10188642, Example 35 | US9334286, 35) Show SMILES COCCn1c(C)ncc1-c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC)c1 Show InChI InChI=1S/C30H34N6O3/c1-20-31-17-27(36(20)10-11-38-4)22-8-9-26(28(13-22)39-5)34-29-14-24-12-21(6-7-23(24)15-32-29)25-16-33-35(18-25)19-30(2,3)37/h6-9,12-18,37H,10-11,19H2,1-5H3,(H,32,34)	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