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SMILES: FC(F)(F)Oc1ccc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc1

InChI Key: InChIKey=GTOOLRZGLJZZBK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 258502   

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))	BDBM258502 (US10633384, Example 1.24 | US9493486, 1.24) Show SMILES FC(F)(F)Oc1ccc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-18-5-1-16(2-6-18)3-8-21(33)31-11-9-23(10-12-31)14-32(15-23)22(34)17-4-7-19-20(13-17)29-30-28-19/h1-2,4-7,13H,3,8-12,14-15H2,(H,28,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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))	BDBM258502 (US10633384, Example 1.24 | US9493486, 1.24) Show SMILES FC(F)(F)Oc1ccc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-18-5-1-16(2-6-18)3-8-21(33)31-11-9-23(10-12-31)14-32(15-23)22(34)17-4-7-19-20(13-17)29-30-28-19/h1-2,4-7,13H,3,8-12,14-15H2,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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