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SMILES: FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)NCc3c[nH]nn3)CC2)cc1

InChI Key: InChIKey=OPMLSLQOQSGBDC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 258586   

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
Ataxin-2 (Homo sapiens (Human))	BDBM258586 (US10633384, Example 14 | US9493486, 14) Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)NCc3c[nH]nn3)CC2)cc1 Show InChI InChI=1S/C20H23F3N6O4/c21-20(22,23)33-16-3-1-14(2-4-16)11-32-18(31)28-7-5-19(6-8-28)12-29(13-19)17(30)24-9-15-10-25-27-26-15/h1-4,10H,5-9,11-13H2,(H,24,30)(H,25,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258586 (US10633384, Example 14 | US9493486, 14) Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)NCc3c[nH]nn3)CC2)cc1 Show InChI InChI=1S/C20H23F3N6O4/c21-20(22,23)33-16-3-1-14(2-4-16)11-32-18(31)28-7-5-19(6-8-28)12-29(13-19)17(30)24-9-15-10-25-27-26-15/h1-4,10H,5-9,11-13H2,(H,24,30)(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair