Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM241319'   

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))	BDBM241319 (US11046688, Example 163 | US9409907, 163) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1nnnn1C Show InChI InChI=1S/C21H25N9O2/c1-21(2,32-5)12-24-18-17-14(8-9-22-18)11-23-20(26-17)25-15-7-6-13(10-16(15)31-4)19-27-28-29-30(19)3/h6-11H,12H2,1-5H3,(H,22,24)(H,23,25,26)	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 US9409907 (2016) BindingDB Entry DOI: 10.7270/Q2C24VB2
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