BDBM258513 US10633384, Example 3.3::US9493486, 3.3

SMILES: Clc1cc(Cl)cc(CCC(=O)N2CC3(CC(C3)NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1

InChI Key: InChIKey=MJSJFHWVIMXAHX-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 = 258513   

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))	BDBM258513 (US10633384, Example 3.3 | US9493486, 3.3) Show SMILES Clc1cc(Cl)cc(CCC(=O)N2CC3(CC(C3)NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 Show InChI InChI=1S/C22H21Cl2N3O5S/c23-14-5-13(6-15(24)7-14)1-4-20(28)27-11-22(12-27)9-16(10-22)26-33(30,31)17-2-3-18-19(8-17)32-21(29)25-18/h2-3,5-8,16,26H,1,4,9-12H2,(H,25,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	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))	BDBM258513 (US10633384, Example 3.3 | US9493486, 3.3) Show SMILES Clc1cc(Cl)cc(CCC(=O)N2CC3(CC(C3)NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 Show InChI InChI=1S/C22H21Cl2N3O5S/c23-14-5-13(6-15(24)7-14)1-4-20(28)27-11-22(12-27)9-16(10-22)26-33(30,31)17-2-3-18-19(8-17)32-21(29)25-18/h2-3,5-8,16,26H,1,4,9-12H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	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