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SMILES: COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1CO)-c1cnc(C)n1C

InChI Key: InChIKey=YHAQCVQQVHHQMO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 230908   

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))	BDBM230908 (US10188642, Example 34 | US9334286, 34) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1CO)-c1cnc(C)n1C Show InChI InChI=1S/C26H26N6O2/c1-16-27-14-23(31(16)2)18-7-8-22(25(10-18)34-4)30-26-11-20-9-17(5-6-19(20)12-28-26)21-13-29-32(3)24(21)15-33/h5-14,33H,15H2,1-4H3,(H,28,30)	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))	BDBM230908 (US10188642, Example 34 | US9334286, 34) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1CO)-c1cnc(C)n1C Show InChI InChI=1S/C26H26N6O2/c1-16-27-14-23(31(16)2)18-7-8-22(25(10-18)34-4)30-26-11-20-9-17(5-6-19(20)12-28-26)21-13-29-32(3)24(21)15-33/h5-14,33H,15H2,1-4H3,(H,28,30)	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