null

SMILES: COc1cc(ccc1Nc1ncc2cc(C)c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50569990   

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))	BDBM50569990 (CHEMBL4858486) Show SMILES COc1cc(ccc1Nc1ncc2cc(C)c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(16.39,-16.35,;17.73,-15.58,;17.73,-14.04,;16.41,-13.27,;16.41,-11.73,;17.75,-10.96,;19.08,-11.74,;19.08,-13.28,;20.41,-14.06,;21.74,-13.29,;21.75,-11.75,;23.08,-10.99,;24.42,-11.77,;25.76,-11.01,;27.09,-11.78,;28.42,-11.03,;27.08,-13.32,;28.4,-14.11,;25.74,-14.09,;25.73,-15.63,;24.39,-16.39,;24.38,-17.93,;25.71,-18.71,;27.05,-17.94,;27.06,-16.4,;25.7,-20.25,;27.03,-21.02,;27.02,-22.56,;28.37,-20.27,;28.38,-18.73,;29.71,-17.96,;31.05,-18.74,;31.03,-20.28,;29.7,-21.04,;24.41,-13.31,;23.07,-14.07,;15.08,-10.95,;13.75,-11.71,;12.42,-10.93,;12.43,-9.39,;11.1,-8.62,;13.77,-8.63,;15.1,-9.41,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length human TTK using MBP as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting b...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113023 BindingDB Entry DOI: 10.7270/Q2GM8C33
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50569990 (CHEMBL4858486) Show SMILES COc1cc(ccc1Nc1ncc2cc(C)c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(16.39,-16.35,;17.73,-15.58,;17.73,-14.04,;16.41,-13.27,;16.41,-11.73,;17.75,-10.96,;19.08,-11.74,;19.08,-13.28,;20.41,-14.06,;21.74,-13.29,;21.75,-11.75,;23.08,-10.99,;24.42,-11.77,;25.76,-11.01,;27.09,-11.78,;28.42,-11.03,;27.08,-13.32,;28.4,-14.11,;25.74,-14.09,;25.73,-15.63,;24.39,-16.39,;24.38,-17.93,;25.71,-18.71,;27.05,-17.94,;27.06,-16.4,;25.7,-20.25,;27.03,-21.02,;27.02,-22.56,;28.37,-20.27,;28.38,-18.73,;29.71,-17.96,;31.05,-18.74,;31.03,-20.28,;29.7,-21.04,;24.41,-13.31,;23.07,-14.07,;15.08,-10.95,;13.75,-11.71,;12.42,-10.93,;12.43,-9.39,;11.1,-8.62,;13.77,-8.63,;15.1,-9.41,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113023 BindingDB Entry DOI: 10.7270/Q2GM8C33
					More data for this Ligand-Target Pair