Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Acylamino-acid-releasing enzyme'
TargetAcylamino-acid-releasing enzyme(Sus scrofa)
Istituto di Biostrutture e Bioimmagini

Curated by ChEMBL
LigandPNGBDBM50382729(CHEMBL2023560)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C24H36F3N7O5S/c1-13(2)9-17(33-23(39)24(25,26)27)20(36)31-15(6-8-40-3)22(38)34-7-4-5-18(34)21(37)32-16(19(28)35)10-14-11-29-12-30-14/h11-13,15-18H,4-10H2,1-3H3,(H2,28,35)(H,29,30)(H,31,36)(H,32,37)(H,33,39)/t15-,16-,17-,18-/m1/s1
Affinity DataKi:  2.40E+4nMAssay Description:Inhibition of pig APEH using acetyl-Ala-pNA as substrate incubated for 2 mins prior to substrate addition by spectrophotometryMore data for this Ligand-Target Pair
TargetAcylamino-acid-releasing enzyme(Sus scrofa)
Istituto di Biostrutture e Bioimmagini

Curated by ChEMBL
LigandPNGBDBM50382729(CHEMBL2023560)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C24H36F3N7O5S/c1-13(2)9-17(33-23(39)24(25,26)27)20(36)31-15(6-8-40-3)22(38)34-7-4-5-18(34)21(37)32-16(19(28)35)10-14-11-29-12-30-14/h11-13,15-18H,4-10H2,1-3H3,(H2,28,35)(H,29,30)(H,31,36)(H,32,37)(H,33,39)/t15-,16-,17-,18-/m1/s1
Affinity DataIC50: 9.80E+4nMAssay Description:Inhibition of pig APEH using acetyl-Ala-pNA as substrate incubated for 2 mins prior to substrate addition by spectrophotometryMore data for this Ligand-Target Pair