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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50058694
PNG
(CHEMBL3326806)
Show SMILES CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
Show InChI InChI=1/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-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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)

More data for this
Ligand-Target Pair
N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3


(Homo sapiens)
BDBM50058694
PNG
(CHEMBL3326806)
Show SMILES CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
Show InChI InChI=1/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-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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)

More data for this
Ligand-Target Pair
N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3


(Homo sapiens)
BDBM50058693
PNG
(CHEMBL3326805)
Show SMILES CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
Show InChI InChI=1/C43H73N3O31/c1-11(52)44-20-28(60)23(55)14(5-47)68-38(20)74-34-19(10-67-42-36(31(63)26(58)17(8-50)71-42)76-39-21(45-12(2)53)29(61)24(56)15(6-48)69-39)73-41(66-4)33(65)35(34)75-43-37(32(64)27(59)18(9-51)72-43)77-40-22(46-13(3)54)30(62)25(57)16(7-49)70-40/h14-43,47-51,55-65H,5-10H2,1-4H3,(H,44,52)(H,45,53)(H,46,54)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41+,42+,43-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.50E+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)

More data for this
Ligand-Target Pair
N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3


(Homo sapiens)
BDBM50058693
PNG
(CHEMBL3326805)
Show SMILES CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
Show InChI InChI=1/C43H73N3O31/c1-11(52)44-20-28(60)23(55)14(5-47)68-38(20)74-34-19(10-67-42-36(31(63)26(58)17(8-50)71-42)76-39-21(45-12(2)53)29(61)24(56)15(6-48)69-39)73-41(66-4)33(65)35(34)75-43-37(32(64)27(59)18(9-51)72-43)77-40-22(46-13(3)54)30(62)25(57)16(7-49)70-40/h14-43,47-51,55-65H,5-10H2,1-4H3,(H,44,52)(H,45,53)(H,46,54)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41+,42+,43-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.40E+7n/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)

More data for this
Ligand-Target Pair