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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'UDP-glucose 4-epimerase'   
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
UDP-glucose 4-epimerase


(Homo sapiens (Human))
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 14n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GalE by HPAEC assay


Bioorg Med Chem Lett 16: 5744-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.091
BindingDB Entry DOI: 10.7270/Q2RJ4K83
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Homo sapiens (Human))
BDBM50194601
PNG
(1,2,4-Trichloro-5-(3-iodo-prop-2-ynyloxy)-benzene ...)
Show SMILES Clc1cc(Cl)c(OCC#CI)cc1Cl
Show InChI InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2
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n/an/a 500n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GalE by HPAEC assay


Bioorg Med Chem Lett 16: 5744-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.091
BindingDB Entry DOI: 10.7270/Q2RJ4K83
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322667
PNG
(2',2''-(9H-fluorene-2,7-diyl)bis(azanediyl)bis(oxo...)
Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc-2c(Cc3cc(NC(=O)c4ccccc4-c4ccccc4C(O)=O)ccc-23)c1
Show InChI InChI=1S/C41H28N2O6/c44-38(34-13-5-1-9-30(34)32-11-3-7-15-36(32)40(46)47)42-26-17-19-28-24(22-26)21-25-23-27(18-20-29(25)28)43-39(45)35-14-6-2-10-31(35)33-12-4-8-16-37(33)41(48)49/h1-20,22-23H,21H2,(H,42,44)(H,43,45)(H,46,47)(H,48,49)
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n/an/a 900n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322674
PNG
(4,4'-dichloro-2'-(5,7-dichloro-4,9-dihydro-3H-fluo...)
Show SMILES OC(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)NC1=CC2=C(CC1)c1c(C2)cc(Cl)cc1Cl |c:24,t:22|
Show InChI InChI=1S/C27H17Cl4NO3/c28-15-1-4-20(21-5-2-16(29)11-23(21)27(34)35)22(10-15)26(33)32-18-3-6-19-13(9-18)7-14-8-17(30)12-24(31)25(14)19/h1-2,4-5,8-12H,3,6-7H2,(H,32,33)(H,34,35)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322672
PNG
(2'-(chrysen-6-ylcarbamoyl)biphenyl-2-carboxylic ac...)
Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C32H21NO3/c34-31(27-15-7-4-12-23(27)24-13-5-8-16-28(24)32(35)36)33-30-19-29-21-10-2-1-9-20(21)17-18-25(29)22-11-3-6-14-26(22)30/h1-19H,(H,33,34)(H,35,36)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322662
PNG
(2'-(9-oxo-9H-fluoren-2-ylcarbamoyl)biphenyl-2-carb...)
Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2-c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C27H17NO4/c29-25-21-10-4-1-7-17(21)20-14-13-16(15-24(20)25)28-26(30)22-11-5-2-8-18(22)19-9-3-6-12-23(19)27(31)32/h1-15H,(H,28,30)(H,31,32)
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322671
PNG
(2'-(6-oxo-6H-benzo[c]chromen-3-ylcarbamoyl)bipheny...)
Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C27H17NO5/c29-25(21-10-4-1-7-17(21)18-8-2-5-11-22(18)26(30)31)28-16-13-14-20-19-9-3-6-12-23(19)27(32)33-24(20)15-16/h1-15H,(H,28,29)(H,30,31)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322673
PNG
(2'-(9H-fluoren-2-ylcarbamoyl)-4,4'-dichlorobipheny...)
Show SMILES OC(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)Nc1ccc-2c(Cc3ccccc-23)c1
Show InChI InChI=1S/C27H17Cl2NO3/c28-17-5-8-22(23-9-6-18(29)14-25(23)27(32)33)24(13-17)26(31)30-19-7-10-21-16(12-19)11-15-3-1-2-4-20(15)21/h1-10,12-14H,11H2,(H,30,31)(H,32,33)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Homo sapiens (Human))
BDBM50117090
PNG
((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(O)c(Br)c2)N=O)cc1Br
Show InChI InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,17-18,29-30H,5-8,11-12H2,(H,25,31)(H,26,32)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GalE by HPAEC assay


Bioorg Med Chem Lett 16: 5744-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.091
BindingDB Entry DOI: 10.7270/Q2RJ4K83
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM60209
PNG
(2-[2-[(6-keto-5H-phenanthridin-3-yl)carbamoyl]phen...)
Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C27H18N2O4/c30-25(21-10-4-1-7-17(21)18-8-3-6-12-23(18)27(32)33)28-16-13-14-20-19-9-2-5-11-22(19)26(31)29-24(20)15-16/h1-15H,(H,28,30)(H,29,31)(H,32,33)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322670
PNG
(2'-(7-fluoro-9H-fluoren-2-ylcarbamoyl)biphenyl-2-c...)
Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc-2c(Cc3cc(F)ccc-23)c1
Show InChI InChI=1S/C27H18FNO3/c28-18-9-11-20-16(14-18)13-17-15-19(10-12-21(17)20)29-26(30)24-7-3-1-5-22(24)23-6-2-4-8-25(23)27(31)32/h1-12,14-15H,13H2,(H,29,30)(H,31,32)
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322668
PNG
(2'-(9H-fluoren-3-ylcarbamoyl)biphenyl-2-carboxylic...)
Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2Cc3ccccc3-c2c1
Show InChI InChI=1S/C27H19NO3/c29-26(23-11-5-3-9-21(23)22-10-4-6-12-24(22)27(30)31)28-19-14-13-18-15-17-7-1-2-8-20(17)25(18)16-19/h1-14,16H,15H2,(H,28,29)(H,30,31)
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322663
PNG
(2'-(9H-fluoren-2-ylcarbamoyl)biphenyl-2-carboxylic...)
Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc-2c(Cc3ccccc-23)c1
Show InChI InChI=1S/C27H19NO3/c29-26(24-11-5-3-9-22(24)23-10-4-6-12-25(23)27(30)31)28-19-13-14-21-18(16-19)15-17-7-1-2-8-20(17)21/h1-14,16H,15H2,(H,28,29)(H,30,31)
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM283
PNG
(6-[(8-chloro-4-hydroxy-3-{[4-hydroxy-3-(3-methylbu...)
Show SMILES COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |(-11.67,5.02,;-11.54,3.68,;-10.41,2.64,;-9.47,1.42,;-9.65,-.11,;-9.68,-1.17,;-8.71,-2.36,;-10.68,-1.93,;-11.03,-.43,;-13.62,-1.04,;-13.27,-2.54,;-14.39,-3.59,;-11.8,-2.98,;-7.94,1.61,;-8.07,.08,;-7.35,3.03,;-6.07,3.72,;-4.54,3.57,;-4.54,2.03,;-3.21,1.26,;-1.87,2.03,;-.54,1.26,;-.54,-.28,;.79,2.03,;1.98,1.05,;3.09,1.05,;3.55,-.42,;4.14,1.87,;4.14,3.41,;5.48,4.18,;6.81,3.41,;7.98,4.41,;6.81,1.87,;7.64,1.05,;8.4,1.75,;9.16,.93,;9.22,-.17,;10.21,1.4,;5.48,1.1,;.79,3.57,;2.05,4.46,;-.54,4.34,;-1.87,3.57,;-3.21,4.34,;-3.1,6.11,;-8.29,4.26,;-9.81,4.06,;-9.92,5.25,;-9.68,3.15,)|
Show InChI InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322664
PNG
(2'-(9-ethyl-9H-carbazol-3-ylcarbamoyl)biphenyl-2-c...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)c3ccccc3-c3ccccc3C(O)=O)ccc12
Show InChI InChI=1S/C28H22N2O3/c1-2-30-25-14-8-7-11-21(25)24-17-18(15-16-26(24)30)29-27(31)22-12-5-3-9-19(22)20-10-4-6-13-23(20)28(32)33/h3-17H,2H2,1H3,(H,29,31)(H,32,33)
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322666
PNG
(2'-(9-hydroxy-9H-fluoren-2-ylcarbamoyl)biphenyl-2-...)
Show SMILES OC1c2ccccc2-c2ccc(NC(=O)c3ccccc3-c3ccccc3C(O)=O)cc12
Show InChI InChI=1S/C27H19NO4/c29-25-21-10-4-1-7-17(21)20-14-13-16(15-24(20)25)28-26(30)22-11-5-2-8-18(22)19-9-3-6-12-23(19)27(31)32/h1-15,25,29H,(H,28,30)(H,31,32)
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Trypanosoma brucei)
BDBM50322669
PNG
(2'-(9H-fluoren-4-ylcarbamoyl)biphenyl-2-carboxylic...)
Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cccc2Cc3ccccc3-c12
Show InChI InChI=1S/C27H19NO3/c29-26(22-13-5-3-11-20(22)21-12-4-6-14-23(21)27(30)31)28-24-15-7-9-18-16-17-8-1-2-10-19(17)25(18)24/h1-15H,16H2,(H,28,29)(H,30,31)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Homo sapiens (Human))
BDBM50194603
PNG
(CHEMBL374772 | diamino(dimethylamino)methyl -((1R,...)
Show SMILES CN(C)C(N)(N)OS(=O)(=O)O\C=C1\CC[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@H]1CCc1ccoc1
Show InChI InChI=1S/C28H47N3O5S/c1-25(2)14-7-15-27(4)23(25)12-16-26(3)22(10-8-20-13-17-34-18-20)21(9-11-24(26)27)19-35-37(32,33)36-28(29,30)31(5)6/h13,17-19,22-24H,7-12,14-16,29-30H2,1-6H3/b21-19-/t22-,23-,24-,26+,27-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GalE by HPAEC assay


Bioorg Med Chem Lett 16: 5744-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.091
BindingDB Entry DOI: 10.7270/Q2RJ4K83
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Homo sapiens (Human))
BDBM50186231
PNG
((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GalE by HPAEC assay


Bioorg Med Chem Lett 16: 5744-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.091
BindingDB Entry DOI: 10.7270/Q2RJ4K83
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Homo sapiens (Human))
BDBM20625
PNG
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)
Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GalE by HPAEC assay


Bioorg Med Chem Lett 16: 5744-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.091
BindingDB Entry DOI: 10.7270/Q2RJ4K83
More data for this
Ligand-Target Pair