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SMILES: COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1)-c1cncn1C

InChI Key: InChIKey=ZUEVFYBYSKNJKB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 230895   

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))	BDBM230895 (US10188642, Example 21 | US9334286, 21) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1)-c1cncn1C Show InChI InChI=1S/C24H22N6O/c1-29-15-25-13-22(29)17-6-7-21(23(9-17)31-3)28-24-10-19-8-16(4-5-18(19)11-26-24)20-12-27-30(2)14-20/h4-15H,1-3H3,(H,26,28)	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))	BDBM230895 (US10188642, Example 21 | US9334286, 21) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1)-c1cncn1C Show InChI InChI=1S/C24H22N6O/c1-29-15-25-13-22(29)17-6-7-21(23(9-17)31-3)28-24-10-19-8-16(4-5-18(19)11-26-24)20-12-27-30(2)14-20/h4-15H,1-3H3,(H,26,28)	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