BDBM258556 US10633384, Example 12.18::US9493486, 12.18

SMILES: FC(F)(F)Oc1cc(Cl)cc(COC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]nnc4c3)C2)c1

InChI Key: InChIKey=WUFPYBVDYIRBPK-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 258556   

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))	BDBM258556 (US10633384, Example 12.18 | US9493486, 12.18) Show SMILES FC(F)(F)Oc1cc(Cl)cc(COC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]nnc4c3)C2)c1 Show InChI InChI=1S/C22H19ClF3N5O4/c23-14-3-12(4-16(6-14)35-22(24,25)26)9-34-20(33)31-10-21(11-31)7-15(8-21)27-19(32)13-1-2-17-18(5-13)29-30-28-17/h1-6,15H,7-11H2,(H,27,32)(H,28,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53.5	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)
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258556 (US10633384, Example 12.18 | US9493486, 12.18) Show SMILES FC(F)(F)Oc1cc(Cl)cc(COC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]nnc4c3)C2)c1 Show InChI InChI=1S/C22H19ClF3N5O4/c23-14-3-12(4-16(6-14)35-22(24,25)26)9-34-20(33)31-10-21(11-31)7-15(8-21)27-19(32)13-1-2-17-18(5-13)29-30-28-17/h1-6,15H,7-11H2,(H,27,32)(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53.5	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