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SMILES: COCCn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3OC)-c3cnc(C)n3CCOC)cc2c1

InChI Key: InChIKey=GJUVEFLVWIUCMN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 230905   

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))	BDBM230905 (US10188642, Example 31 | US9334286, 31) Show SMILES COCCn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3OC)-c3cnc(C)n3CCOC)cc2c1 Show InChI InChI=1S/C29H32N6O3/c1-20-30-18-27(35(20)10-12-37-3)22-7-8-26(28(14-22)38-4)33-29-15-24-13-21(5-6-23(24)16-31-29)25-17-32-34(19-25)9-11-36-2/h5-8,13-19H,9-12H2,1-4H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM230905 (US10188642, Example 31 | US9334286, 31) Show SMILES COCCn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3OC)-c3cnc(C)n3CCOC)cc2c1 Show InChI InChI=1S/C29H32N6O3/c1-20-30-18-27(35(20)10-12-37-3)22-7-8-26(28(14-22)38-4)33-29-15-24-13-21(5-6-23(24)16-31-29)25-17-32-34(19-25)9-11-36-2/h5-8,13-19H,9-12H2,1-4H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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