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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'UDP-glucose 4-epimerase' 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
UDP-glucose 4-epimerase


(Homo sapiens)
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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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair