Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with all data for entry = 50008876
TargetCholinesterase(Homo sapiens (Human))
University of Education

Curated by ChEMBL
LigandPNGBDBM10857(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Affinity DataIC50: 139nMAssay Description:Inhibition of BuChE (unknown origin) using butyrylthiocholine bromide as substrate by Ellman methodMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University of Education

Curated by ChEMBL
LigandPNGBDBM10857(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Affinity DataIC50: 145nMAssay Description:Inhibition of AChE (unknown origin) using acetylcholine iodide as substrate by Ellman methodMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Education

Curated by ChEMBL
LigandPNGBDBM50523088(CHEMBL4439928)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C19H24N2O3S/c1-13(2)12-15-4-6-16(7-5-15)14(3)19(22)21-25(23,24)18-10-8-17(20)9-11-18/h4-11,13-14H,12,20H2,1-3H3,(H,21,22)
Affinity DataIC50: 214nMAssay Description:Inhibition of BuChE (unknown origin) using butyrylthiocholine bromide as substrate by Ellman methodMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University of Education

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
Affinity DataIC50: 235nMAssay Description:Inhibition of AChE (unknown origin) using acetylcholine iodide as substrate by Ellman methodMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Education

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
Affinity DataIC50: 600nMAssay Description:Inhibition of BuChE (unknown origin) using butyrylthiocholine bromide as substrate by Ellman methodMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University of Education

Curated by ChEMBL
LigandPNGBDBM50523088(CHEMBL4439928)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C19H24N2O3S/c1-13(2)12-15-4-6-16(7-5-15)14(3)19(22)21-25(23,24)18-10-8-17(20)9-11-18/h4-11,13-14H,12,20H2,1-3H3,(H,21,22)
Affinity DataIC50: 600nMAssay Description:Inhibition of AChE (unknown origin) using acetylcholine iodide as substrate by Ellman methodMore data for this Ligand-Target Pair