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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 924.8
BDBM50058694

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3


(Homo sapiens (Human))
BDBM50058694
PNG
(CHEMBL3326806)
Show SMILES [H][C@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](OC)[C@H]1O |r|
Show InChI InChI=1S/C35H60N2O26/c1-9(42)36-16-23(49)18(44)11(4-38)56-31(16)62-29-25(51)20(46)13(6-40)58-34(29)55-8-15-22(48)28(27(53)33(54-3)60-15)61-35-30(26(52)21(47)14(7-41)59-35)63-32-17(37-10(2)43)24(50)19(45)12(5-39)57-32/h11-35,38-41,44-53H,4-8H2,1-3H3,(H,36,42)(H,37,43)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+6n/an/an/an/an/an/an/an/a



RIKEN-Max Planck Joint Research Center for Systems Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminally His6-tagged N-acetylglucosaminyltransferase 3 expressed in HEK293T cells assessed as GN-GnGnbi-PAs molar ratio level...


Bioorg Med Chem Lett 24: 4533-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.074
BindingDB Entry DOI: 10.7270/Q2HQ41K2
More data for this
Ligand-Target Pair
N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3


(Homo sapiens (Human))
BDBM50058694
PNG
(CHEMBL3326806)
Show SMILES [H][C@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](OC)[C@H]1O |r|
Show InChI InChI=1S/C35H60N2O26/c1-9(42)36-16-23(49)18(44)11(4-38)56-31(16)62-29-25(51)20(46)13(6-40)58-34(29)55-8-15-22(48)28(27(53)33(54-3)60-15)61-35-30(26(52)21(47)14(7-41)59-35)63-32-17(37-10(2)43)24(50)19(45)12(5-39)57-32/h11-35,38-41,44-53H,4-8H2,1-3H3,(H,36,42)(H,37,43)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+6n/an/an/an/an/an/an/an/a



RIKEN-Max Planck Joint Research Center for Systems Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminally His6-tagged N-acetylglucosaminyltransferase 3 expressed in HEK293T cells assessed as GN-GnGnbi-PAs molar ratio level...


Bioorg Med Chem Lett 24: 4533-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.074
BindingDB Entry DOI: 10.7270/Q2HQ41K2
More data for this
Ligand-Target Pair