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SMILES: CCOc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C

InChI Key: InChIKey=MHHKAXZAQKJTKT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 230976   

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))	BDBM230976 (US10188642, Example 103 | US9334286, 103) Show SMILES CCOc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C Show InChI InChI=1S/C26H28N8O2/c1-5-36-23-10-17(25-32-28-16-33(25)4)6-9-21(23)31-24-11-22-18(12-27-24)7-8-20(30-22)19-13-29-34(14-19)15-26(2,3)35/h6-14,16,35H,5,15H2,1-4H3,(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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))	BDBM230976 (US10188642, Example 103 | US9334286, 103) Show SMILES CCOc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C Show InChI InChI=1S/C26H28N8O2/c1-5-36-23-10-17(25-32-28-16-33(25)4)6-9-21(23)31-24-11-22-18(12-27-24)7-8-20(30-22)19-13-29-34(14-19)15-26(2,3)35/h6-14,16,35H,5,15H2,1-4H3,(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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