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SMILES: COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CC2(C1)CCOC2

InChI Key: InChIKey=ZODXCUDVMUSVPZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 230969   

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))	BDBM230969 (US10188642, Example 95 | US9334286, 95) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CC2(C1)CCOC2 Show InChI InChI=1S/C30H33N5O4/c1-29(2,37)16-35-15-24(14-32-35)20-4-5-22-13-31-27(12-23(22)10-20)33-25-7-6-21(11-26(25)38-3)28(36)34-17-30(18-34)8-9-39-19-30/h4-7,10-15,37H,8-9,16-19H2,1-3H3,(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	1	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))	BDBM230969 (US10188642, Example 95 | US9334286, 95) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CC2(C1)CCOC2 Show InChI InChI=1S/C30H33N5O4/c1-29(2,37)16-35-15-24(14-32-35)20-4-5-22-13-31-27(12-23(22)10-20)33-25-7-6-21(11-26(25)38-3)28(36)34-17-30(18-34)8-9-39-19-30/h4-7,10-15,37H,8-9,16-19H2,1-3H3,(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	1	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