Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with all data for entry = 50007198
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50030474(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
Affinity DataIC50: 2.95E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by patch clamp assayMore data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50507302(CHEMBL4456608)
Show SMILES CCN(CC)[N+](\[O-])=N\OCOC(=O)\C=C\c1ccc(OC(=O)OCN2C(=O)SC(Cc3ccc(OCCN(C)c4ccccn4)cc3)C2=O)c(OC)c1
Show InChI InChI=1S/C35H40N6O11S/c1-5-39(6-2)41(46)37-51-24-50-32(42)17-13-25-12-16-28(29(21-25)47-4)52-35(45)49-23-40-33(43)30(53-34(40)44)22-26-10-14-27(15-11-26)48-20-19-38(3)31-9-7-8-18-36-31/h7-18,21,30H,5-6,19-20,22-24H2,1-4H3/b17-13+,41-37-
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by patch clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid