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SMILES: COCC(CO)Nc1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12

InChI Key: InChIKey=LUODMVWKNCJPGY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 241289   

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))	BDBM241289 (US10479788, Example 131 | US11046688, Example 131 ...) Show SMILES COCC(CO)Nc1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12 Show InChI InChI=1S/C22H25N7O3/c1-29-11-16(10-25-29)14-4-5-18(19(8-14)32-3)27-22-24-9-15-6-7-23-21(20(15)28-22)26-17(12-30)13-31-2/h4-11,17,30H,12-13H2,1-3H3,(H,23,26)(H,24,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241289 (US10479788, Example 131 | US11046688, Example 131 ...) Show SMILES COCC(CO)Nc1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12 Show InChI InChI=1S/C22H25N7O3/c1-29-11-16(10-25-29)14-4-5-18(19(8-14)32-3)27-22-24-9-15-6-7-23-21(20(15)28-22)26-17(12-30)13-31-2/h4-11,17,30H,12-13H2,1-3H3,(H,23,26)(H,24,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	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))	BDBM241289 (US10479788, Example 131 | US11046688, Example 131 ...) Show SMILES COCC(CO)Nc1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12 Show InChI InChI=1S/C22H25N7O3/c1-29-11-16(10-25-29)14-4-5-18(19(8-14)32-3)27-22-24-9-15-6-7-23-21(20(15)28-22)26-17(12-30)13-31-2/h4-11,17,30H,12-13H2,1-3H3,(H,23,26)(H,24,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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