Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with all data for entry = 50032103
TargetBeta-1,4-galactosyltransferase 1(Homo sapiens (Human))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50324492(CHEMBL1214871)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](COCCOCCOCCOCc3ccc4ccccc4c3)[C@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C32H44N2O20P2/c35-24-7-8-34(32(41)33-24)30-28(39)26(37)23(51-30)18-50-55(42,43)54-56(44,45)53-31-29(40)27(38)25(36)22(52-31)17-49-14-12-47-10-9-46-11-13-48-16-19-5-6-20-3-1-2-4-21(20)15-19/h1-8,15,22-23,25-31,36-40H,9-14,16-18H2,(H,42,43)(H,44,45)(H,33,35,41)/t22-,23-,25+,26-,27+,28-,29-,30-,31-/m1/s1
Affinity DataKi:  1.86E+3nMAssay Description:Inhibition of human Beta-1,4-galactosyltransferase 1More data for this Ligand-Target Pair
TargetCMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase(Rattus norvegicus)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50324493(CHEMBL1214872 | Cytidine-5'-monophospho-5-(2-(4-((...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)c1cn(CC(=O)N[C@@H]2[C@@H](O)C[C@](OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(N)nc3=O)(O[C@H]2[C@H](O)[C@H](O)CO)C([O-])=O)nn1
Show InChI InChI=1S/C40H54N7O18P/c1-38-9-6-21-20-5-3-19(49)12-18(20)2-4-22(21)23(38)7-10-39(38,59)27-14-46(45-44-27)15-29(52)43-30-24(50)13-40(36(56)57,64-34(30)31(53)25(51)16-48)65-66(60,61)62-17-26-32(54)33(55)35(63-26)47-11-8-28(41)42-37(47)58/h3,5,8,11-12,14,21-26,30-35,48-51,53-55,59H,2,4,6-7,9-10,13,15-17H2,1H3,(H,43,52)(H,56,57)(H,60,61)(H2,41,42,58)/p-2/t21-,22-,23+,24+,25-,26-,30-,31-,32-,33-,34-,35-,38+,39-,40-/m1/s1
Affinity DataIC50: 8.20E+3nMAssay Description:Inhibition of rat recombinant alpha 2,3-(N)-sialyltransferase 3More data for this Ligand-Target Pair