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SMILES: COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)OC)c2)c(OC)c1

InChI Key: InChIKey=UNBXHRLXVWHKKU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 230948   

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))	BDBM230948 (US10188642, Example 74 | US9334286, 74) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)OC)c2)c(OC)c1 Show InChI InChI=1S/C29H33N5O4/c1-29(2,38-5)18-34-15-23(14-31-34)19-6-7-21-13-30-27(12-22(21)10-19)32-25-9-8-20(11-26(25)37-4)28(35)33-16-24(17-33)36-3/h6-15,24H,16-18H2,1-5H3,(H,30,32)	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))	BDBM230948 (US10188642, Example 74 | US9334286, 74) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)OC)c2)c(OC)c1 Show InChI InChI=1S/C29H33N5O4/c1-29(2,38-5)18-34-15-23(14-31-34)19-6-7-21-13-30-27(12-22(21)10-19)32-25-9-8-20(11-26(25)37-4)28(35)33-16-24(17-33)36-3/h6-15,24H,16-18H2,1-5H3,(H,30,32)	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