BDBM258569 US10633384, Example 12.31::US9493486, 12.31

SMILES: CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1

InChI Key: InChIKey=LOMCGZAQBNLPJR-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 = 258569   

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))	BDBM258569 (US10633384, Example 12.31 | US9493486, 12.31) Show SMILES CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C23H24ClN3O8S2/c1-36(30,31)18-9-15(8-16(24)10-18)12-34-22(29)26-6-4-23(5-7-26)13-27(14-23)37(32,33)17-2-3-19-20(11-17)35-21(28)25-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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))	BDBM258569 (US10633384, Example 12.31 | US9493486, 12.31) Show SMILES CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C23H24ClN3O8S2/c1-36(30,31)18-9-15(8-16(24)10-18)12-34-22(29)26-6-4-23(5-7-26)13-27(14-23)37(32,33)17-2-3-19-20(11-17)35-21(28)25-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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