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Compile Data Set for Download or QSAR

Found 33 hits of kd for UniProtKB: P9WIQ1   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68247
PNG
(Fluorescent Probe 1)
Show SMILES OC1C(O)C(OC1COP([O-])(=O)OP([O-])(=O)OCCCCCCNC(=S)Nc1ccc(c(c1)C([O-])=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)n1ccc(=O)[nH]c1=O |(22.94,6.54,;24.09,7.57,;25.59,7.25,;26.22,5.84,;26.36,8.58,;25.33,9.73,;23.93,9.1,;22.59,9.87,;21.26,9.1,;19.93,9.87,;19.16,8.54,;20.7,11.21,;18.59,10.64,;17.26,9.87,;16.49,11.21,;18.03,8.54,;15.92,9.1,;14.59,9.87,;13.26,9.1,;11.92,9.87,;10.59,9.1,;9.26,9.87,;7.92,9.1,;6.59,9.87,;5.26,9.1,;5.26,7.56,;3.92,9.87,;2.59,9.1,;1.25,9.87,;-.08,9.1,;-.08,7.56,;1.25,6.79,;2.59,7.56,;1.25,5.25,;.63,3.85,;2.59,4.48,;-1.41,6.79,;-2.75,7.56,;-2.75,9.1,;-4.08,9.87,;-5.41,9.1,;-6.75,9.87,;-5.41,7.56,;-4.08,6.79,;-4.08,5.25,;-2.75,4.48,;-2.75,2.94,;-1.41,2.17,;-1.41,.63,;-.08,2.94,;-.08,4.48,;-1.41,5.25,;27.9,8.74,;28.8,7.5,;30.33,7.66,;30.96,9.07,;32.49,9.23,;30.05,10.31,;28.52,10.15,;27.62,11.4,)|
Show InChI InChI=1S/C36H38N4O17P2S/c41-20-6-9-23-26(16-20)55-27-17-21(42)7-10-24(27)30(23)22-8-5-19(15-25(22)34(46)47)38-35(60)37-12-3-1-2-4-14-53-58(49,50)57-59(51,52)54-18-28-31(44)32(45)33(56-28)40-13-11-29(43)39-36(40)48/h5-11,13,15-17,28,31-33,41,44-45H,1-4,12,14,18H2,(H,46,47)(H,49,50)(H,51,52)(H2,37,38,60)(H,39,43,48)/p-3
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n/an/a 5.70E+3 160n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68225
PNG
(Thiazolidinone core, 9)
Show SMILES Clc1ccc(cc1Cl)N1NC(=O)C(=Cc2ccc(Cl)c(c2)N(=O)=O)C1=O |w:13.14|
Show InChI InChI=1S/C16H8Cl3N3O4/c17-11-4-2-9(7-13(11)19)21-16(24)10(15(23)20-21)5-8-1-3-12(18)14(6-8)22(25)26/h1-7H,(H,20,23)
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n/an/a 4.10E+4 4.90E+3n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68226
PNG
(Thiazolidinone core, 10)
Show SMILES Oc1cc(Cl)c(\C=c2/sc3nc4ccccc4n3c2=O)cc1N(=O)=O
Show InChI InChI=1S/C16H8ClN3O4S/c17-9-7-13(21)12(20(23)24)5-8(9)6-14-15(22)19-11-4-2-1-3-10(11)18-16(19)25-14/h1-7,21H/b14-6-
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n/an/a 28 5.30E+3n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68228
PNG
(Thiazolidinone core, 22)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(I)c2)C1=O
Show InChI InChI=1S/C19H14INO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-
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n/an/a 4.10E+4 6.00E+3n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68233
PNG
(Pyridin analog, 11)
Show SMILES O=C1N(Cc2cccnc2)C(=O)c2ccc(c3cccc1c23)N(=O)=O
Show InChI InChI=1S/C18H11N3O4/c22-17-13-5-1-4-12-15(21(24)25)7-6-14(16(12)13)18(23)20(17)10-11-3-2-8-19-9-11/h1-9H,10H2
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n/an/an/a 8.00E+3n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50202277
PNG
((S)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-6-13(7-9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-/t15-/m0/s1
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n/an/a 3.50E+4 9.30E+3n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68229
PNG
(Thiazolidinone core, 30)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(cc12)N(=O)=O
Show InChI InChI=1S/C20H13N3O6S2/c24-17-15(12-9-11(23(28)29)6-7-13(12)21-17)16-18(25)22(20(30)31-16)14(19(26)27)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,21,24)(H,26,27)/b16-15-
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n/an/a>1.00E+5 1.00E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68222
PNG
(Thiazolidinone core, 6)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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n/an/a 6.50E+4 1.20E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68227
PNG
(Thiazolidinone core, 21)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C19H14ClNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-
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n/an/a 4.90E+4 1.60E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68236
PNG
(Thiazolidinone core, 17)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)N1C(=S)S\C(=C\c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C19H14BrNO4S2/c20-13-3-1-2-12(8-13)10-16-17(23)21(19(26)27-16)15(18(24)25)9-11-4-6-14(22)7-5-11/h1-8,10,15,22H,9H2,(H,24,25)/b16-10+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68234
PNG
(Thiazolidinone core, 15)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68241
PNG
(Thiazolidinone core, 26)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(c2)N(=O)=O)C1=O
Show InChI InChI=1S/C19H14N2O5S2/c22-17-16(11-13-7-4-8-14(9-13)21(25)26)28-19(27)20(17)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68244
PNG
(Thiazolidinone core, 29)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C19H15NO3S2/c21-17-16(12-14-9-5-2-6-10-14)25-19(24)20(17)15(18(22)23)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H,22,23)/b16-12+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68243
PNG
(Thiazolidinone core, 28)
Show SMILES COc1cccc(\C=C2\SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c1
Show InChI InChI=1S/C20H17NO4S2/c1-25-15-9-5-8-14(10-15)12-17-18(22)21(20(26)27-17)16(19(23)24)11-13-6-3-2-4-7-13/h2-10,12,16H,11H2,1H3,(H,23,24)/b17-12+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68242
PNG
(Thiazolidinone core, 27)
Show SMILES Cc1cccc(\C=C2\SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c1
Show InChI InChI=1S/C20H17NO3S2/c1-13-6-5-9-15(10-13)12-17-18(22)21(20(25)26-17)16(19(23)24)11-14-7-3-2-4-8-14/h2-10,12,16H,11H2,1H3,(H,23,24)/b17-12+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68240
PNG
(Thiazolidinone core, 25)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2ccccc2Br)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-9-5-4-8-13(14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68239
PNG
(Thiazolidinone core, 23)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(F)c2)C1=O
Show InChI InChI=1S/C19H14FNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68238
PNG
(Thiazolidinone core, 20)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C20H14N2O5S2/c23-11-7-5-10(6-8-11)9-14(19(26)27)22-18(25)16(29-20(22)28)15-12-3-1-2-4-13(12)21-17(15)24/h1-8,14,23H,9H2,(H,21,24)(H,26,27)/b16-15-
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/a 3.50E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50592578
PNG
(CHEMBL5205229)
Show SMILES OC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)\C=C\c1ccccc1 |r|
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n/an/an/a 6.30E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50592578
PNG
(CHEMBL5205229)
Show SMILES OC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)\C=C\c1ccccc1 |r|
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n/an/an/a 1.05E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50592579
PNG
(CHEMBL5179369)
Show SMILES OC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)\C=C\c1ccccc1 |r|
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n/an/an/a 1.97E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68237
PNG
(Thiazolidinone core, 19)
Show SMILES CC(N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)C(O)=O
Show InChI InChI=1S/C14H10N2O4S2/c1-6(13(19)20)16-12(18)10(22-14(16)21)9-7-4-2-3-5-8(7)15-11(9)17/h2-6H,1H3,(H,15,17)(H,19,20)/b10-9-
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n/an/an/a>3.30E+5n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68245
PNG
(Thiazolidinone core, 31)
Show SMILES OC(=O)N1C(=S)S\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C11H7NO3S2/c13-9-8(6-7-4-2-1-3-5-7)17-11(16)12(9)10(14)15/h1-6H,(H,14,15)/b8-6+
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n/an/an/a>3.30E+5n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68235
PNG
(Thiazolidinone core, 16)
Show SMILES CC(N1C(=S)S\C(=C\c2cccc(Br)c2)C1=O)C(O)=O
Show InChI InChI=1S/C13H10BrNO3S2/c1-7(12(17)18)15-11(16)10(20-13(15)19)6-8-3-2-4-9(14)5-8/h2-7H,1H3,(H,17,18)/b10-6+
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n/an/an/a>3.30E+5n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM68246
PNG
(Thiazolidinone core, 18)
Show SMILES OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C13H8N2O4S2/c16-8(17)5-15-12(19)10(21-13(15)20)9-6-3-1-2-4-7(6)14-11(9)18/h1-4H,5H2,(H,14,18)(H,16,17)/b10-9-
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n/an/an/a>3.30E+5n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50592577
PNG
(CHEMBL5197452)
Show SMILES OC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)\C=C\c1ccccc1 |r|
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n/an/an/a 3.58E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50592575
PNG
(CHEMBL5185885)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)\C=C\c1ccccc1 |r|
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n/an/an/a 4.01E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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n/an/an/a 6.53E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50592576
PNG
(CHEMBL5207362)
Show SMILES OC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccccc1 |r|
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n/an/an/a 9.48E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50272460
PNG
(CHEMBL3276007)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C18H17NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15/h1-12,16H,13H2,(H,19,20)(H,21,22)/b12-11+/t16-/m0/s1
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n/an/an/a>1.00E+6n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50594816
PNG
(CHEMBL5205613)
Show SMILES Cl.Oc1ccc(cc1O)-c1oc2c(CN3CCCC3)c(O)cc(O)c2c(=O)c1O
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n/an/an/a>2.00E+6n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114068
BindingDB Entry DOI: 10.7270/Q29W0KH4
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM50262559
PNG
(2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-8-(piperi...)
Show SMILES Oc1ccc(cc1O)-c1oc2c(CN3CCCCC3)c(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C21H21NO7/c23-13-5-4-11(8-15(13)25)20-19(28)18(27)17-16(26)9-14(24)12(21(17)29-20)10-22-6-2-1-3-7-22/h4-5,8-9,23-26,28H,1-3,6-7,10H2
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n/an/an/a>2.00E+6n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114068
BindingDB Entry DOI: 10.7270/Q29W0KH4
More data for this
Ligand-Target Pair