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SMILES: COc1nc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cnnn1C

InChI Key: InChIKey=DUWXVPNCJMWLST-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 421055   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM421055 (US10479788, Example 166 | US11046688, Example 166) Show SMILES COc1nc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cnnn1C Show InChI InChI=1S/C21H25N9O2/c1-21(2,32-5)12-24-18-17-13(8-9-22-18)10-23-20(28-17)27-15-7-6-14(26-19(15)31-4)16-11-25-29-30(16)3/h6-11H,12H2,1-5H3,(H,22,24)(H,23,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2KX2
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM421055 (US10479788, Example 166 | US11046688, Example 166) Show SMILES COc1nc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cnnn1C Show InChI InChI=1S/C21H25N9O2/c1-21(2,32-5)12-24-18-17-13(8-9-22-18)10-23-20(28-17)27-15-7-6-14(26-19(15)31-4)16-11-25-29-30(16)3/h6-11H,12H2,1-5H3,(H,22,24)(H,23,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 US10479788 (2019) BindingDB Entry DOI: 10.7270/Q2BP055X
					More data for this Ligand-Target Pair