Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with all data for entry = 50017388
TargetSqualene synthase(Homo sapiens (Human))
Instituto Venezolano de Investigaciones Científicas

Curated by ChEMBL
LigandPNGBDBM18957((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibitory activity against Trypanosoma cruzi glycosomal squalene synthaseMore data for this Ligand-Target Pair
TargetSqualene monooxygenase(Homo sapiens (Human))
Instituto Venezolano de Investigaciones Científicas

Curated by ChEMBL
LigandPNGBDBM18957((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibitory activity against Trypanosoma cruzi microsomal squalene synthaseMore data for this Ligand-Target Pair