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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'palcic' and Initial = 'mm'   
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 alpha-1,3-galactosyltransferase


(Bos taurus)
BDBM50389789
PNG
(CHEMBL1229737)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(-c3ccc(C=O)s3)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H26N2O18P2S/c23-4-7-1-2-11(43-7)8-3-22(20(31)21-17(8)30)18-15(28)13(26)10(37-18)6-36-41(32,33)40-42(34,35)39-19-16(29)14(27)12(25)9(5-24)38-19/h1-4,9-10,12-16,18-19,24-29H,5-6H2,(H,32,33)(H,34,35)(H,21,30,31)/t9-,10-,12+,13-,14+,15-,16-,18-,19-/m1/s1
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9.80E+3n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of alpha-1,3-GalT in bovine after 15 mins by Dixon plot analysis


J Med Chem 55: 2015-24 (2012)


Article DOI: 10.1021/jm201154p
BindingDB Entry DOI: 10.7270/Q28W3FCH
More data for this
Ligand-Target Pair
N-acetyllactosaminide alpha-1,3-galactosyltransferase


(Bos taurus)
BDBM50389786
PNG
(CHEMBL2070378)
Show SMILES OC[C@H]1O[C@H](CCP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(-c3ccc(C=O)s3)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H30N2O17P2S/c25-6-9-1-2-14(44-9)10-5-24(22(33)23-20(10)32)21-19(31)17(29)13(40-21)8-38-43(36,37)41-42(34,35)4-3-11-15(27)18(30)16(28)12(7-26)39-11/h1-2,5-6,11-13,15-19,21,26-31H,3-4,7-8H2,(H,34,35)(H,36,37)(H,23,32,33)/t11-,12-,13-,15+,16+,17-,18-,19-,21-/m1/s1
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1.80E+4n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of alpha-1,3-GalT in bovine after 15 mins by Dixon plot analysis


J Med Chem 55: 2015-24 (2012)


Article DOI: 10.1021/jm201154p
BindingDB Entry DOI: 10.7270/Q28W3FCH
More data for this
Ligand-Target Pair
N-acetyllactosaminide alpha-1,3-galactosyltransferase


(Bos taurus)
BDBM50389788
PNG
(CHEMBL2070375)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(-c3ccccc3)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H28N2O17P2/c24-7-11-13(25)15(27)17(29)20(38-11)39-42(34,35)40-41(32,33)36-8-12-14(26)16(28)19(37-12)23-6-10(18(30)22-21(23)31)9-4-2-1-3-5-9/h1-6,11-17,19-20,24-29H,7-8H2,(H,32,33)(H,34,35)(H,22,30,31)/t11-,12-,13+,14-,15+,16-,17-,19-,20-/m1/s1
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7.60E+4n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of alpha-1,3-GalT in bovine after 15 mins by Dixon plot analysis


J Med Chem 55: 2015-24 (2012)


Article DOI: 10.1021/jm201154p
BindingDB Entry DOI: 10.7270/Q28W3FCH
More data for this
Ligand-Target Pair
N-acetyllactosaminide alpha-1,3-galactosyltransferase


(Bos taurus)
BDBM50389787
PNG
(CHEMBL2070376)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(-c3ccco3)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H26N2O18P2/c22-5-9-11(23)13(25)15(27)18(37-9)38-41(32,33)39-40(30,31)35-6-10-12(24)14(26)17(36-10)21-4-7(8-2-1-3-34-8)16(28)20-19(21)29/h1-4,9-15,17-18,22-27H,5-6H2,(H,30,31)(H,32,33)(H,20,28,29)/t9-,10-,11+,12-,13+,14-,15-,17-,18-/m1/s1
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9.00E+4n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of alpha-1,3-GalT in bovine after 15 mins by Dixon plot analysis


J Med Chem 55: 2015-24 (2012)


Article DOI: 10.1021/jm201154p
BindingDB Entry DOI: 10.7270/Q28W3FCH
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427444
PNG
(CHEMBL2326313)
Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1
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1.17E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by STD NMR analysis in presence of magnesium ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427446
PNG
(CHEMBL477507)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Show InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4+,6-/m0/s1
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3.61E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by STD NMR analysis in presence of magnesium ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427444
PNG
(CHEMBL2326313)
Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1
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5.65E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Competitive inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by Michaelis-Menten equation analysis in presence of m...


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427445
PNG
(CHEMBL1235497)
Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Show InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4-,6+/m1/s1
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5.71E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by STD NMR analysis in presence of magnesium ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427446
PNG
(CHEMBL477507)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Show InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4+,6-/m0/s1
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1.50E+6n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using radiolabeled UDP-Gal as substrate in presence of manganese ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427444
PNG
(CHEMBL2326313)
Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1
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1.50E+6n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using radiolabeled UDP-Gal as substrate in presence of manganese ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427445
PNG
(CHEMBL1235497)
Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Show InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4-,6+/m1/s1
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2.20E+6n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using radiolabeled UDP-Gal as substrate in presence of manganese ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427444
PNG
(CHEMBL2326313)
Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1
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n/an/a 3.89E+5n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by STD NMR analysis in presence of magnesium ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427444
PNG
(CHEMBL2326313)
Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1
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n/an/a 1.60E+6n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using radiolabeled UDP-Gal as substrate in presence of manganese ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427444
PNG
(CHEMBL2326313)
Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1
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n/an/an/a 1.82E+5n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to human blood group B Galactosyltransferase by STD NMR analysis in presence of magnesium ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427445
PNG
(CHEMBL1235497)
Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Show InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4-,6+/m1/s1
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n/an/an/a 2.30E+6n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to human blood group B Galactosyltransferase after 300 secs by SPR analysis


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427444
PNG
(CHEMBL2326313)
Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1
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n/an/an/a 2.54E+5n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to human blood group B Galactosyltransferase after 300 secs by SPR analysis


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair