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Compile Data Set for Download or QSAR

Found 209 hits Enz. Inhib. hit(s) with Target = 'Galectin-3'   
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
Galectin-3


(Homo sapiens (Human))
BDBM21519
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-(carbam...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(N)=S)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C16H29N3O10S/c1-5(22)18-9-11(24)13(7(4-21)28-14(9)26-2)29-15-12(25)8(19-16(17)30)10(23)6(3-20)27-15/h6-15,20-21,23-25H,3-4H2,1-2H3,(H,18,22)(H3,17,19,30)/t6-,7-,8+,9-,10+,11-,12-,13-,14-,15+/m1/s1
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n/an/an/a 6.50E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21542
PNG
(Galactose-Derived Compound 20 | [(2S,3R,4S,5R,6R)-...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OS(O)(=O)=O
Show InChI InChI=1S/C7H14O8S2/c1-16-7-6(15-17(11,12)13)5(10)4(9)3(2-8)14-7/h3-10H,2H2,1H3,(H,11,12,13)/t3-,4+,5+,6-,7+/m1/s1
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n/an/an/a 2.80E+6n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


J Med Chem 51: 2297-301 (2008)


Article DOI: 10.1021/jm701266y
BindingDB Entry DOI: 10.7270/Q26H4FQZ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21522
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCC=C)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C19H33N3O10S/c1-4-5-20-19(33)22-11-13(26)9(6-23)30-18(15(11)28)32-16-10(7-24)31-17(29-3)12(14(16)27)21-8(2)25/h4,9-18,23-24,26-28H,1,5-7H2,2-3H3,(H,21,25)(H2,20,22,33)/t9-,10-,11+,12-,13+,14-,15-,16-,17-,18+/m1/s1
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n/an/an/a 5.20E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21523
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-[(butyl...)
Show SMILES CCCCNC(=S)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO)[C@@H]1O
Show InChI InChI=1S/C20H37N3O10S/c1-4-5-6-21-20(34)23-12-14(27)10(7-24)31-19(16(12)29)33-17-11(8-25)32-18(30-3)13(15(17)28)22-9(2)26/h10-19,24-25,27-29H,4-8H2,1-3H3,(H,22,26)(H2,21,23,34)/t10-,11-,12+,13-,14+,15-,16-,17-,18-,19+/m1/s1
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n/an/an/a 2.30E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21524
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-[(dieth...)
Show SMILES CCN(CC)C(=S)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO)[C@@H]1O
Show InChI InChI=1S/C20H37N3O10S/c1-5-23(6-2)20(34)22-12-14(27)10(7-24)31-19(16(12)29)33-17-11(8-25)32-18(30-4)13(15(17)28)21-9(3)26/h10-19,24-25,27-29H,5-8H2,1-4H3,(H,21,26)(H,22,34)/t10-,11-,12+,13-,14+,15-,16-,17-,18-,19+/m1/s1
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n/an/an/a 4.30E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21525
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCCO)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C18H33N3O11S/c1-7(25)20-11-13(27)15(9(6-24)31-16(11)29-2)32-17-14(28)10(12(26)8(5-23)30-17)21-18(33)19-3-4-22/h8-17,22-24,26-28H,3-6H2,1-2H3,(H,20,25)(H2,19,21,33)/t8-,9-,10+,11-,12+,13-,14-,15-,16-,17+/m1/s1
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n/an/an/a 7.40E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21526
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCCCO)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C19H35N3O11S/c1-8(26)21-12-14(28)16(10(7-25)32-17(12)30-2)33-18-15(29)11(13(27)9(6-24)31-18)22-19(34)20-4-3-5-23/h9-18,23-25,27-29H,3-7H2,1-2H3,(H,21,26)(H2,20,22,34)/t9-,10-,11+,12-,13+,14-,15-,16-,17-,18+/m1/s1
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n/an/an/a 6.50E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21527
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)Nc3ccccc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C22H33N3O10S/c1-10(28)23-15-17(30)19(13(9-27)34-20(15)32-2)35-21-18(31)14(16(29)12(8-26)33-21)25-22(36)24-11-6-4-3-5-7-11/h3-7,12-21,26-27,29-31H,8-9H2,1-2H3,(H,23,28)(H2,24,25,36)/t12-,13-,14+,15-,16+,17-,18-,19-,20-,21+/m1/s1
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n/an/an/a 4.00E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21528
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-[(benzy...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCc3ccccc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C23H35N3O10S/c1-11(29)25-16-18(31)20(14(10-28)35-21(16)33-2)36-22-19(32)15(17(30)13(9-27)34-22)26-23(37)24-8-12-6-4-3-5-7-12/h3-7,13-22,27-28,30-32H,8-10H2,1-2H3,(H,25,29)(H2,24,26,37)/t13-,14-,15+,16-,17+,18-,19-,20-,21-,22+/m1/s1
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n/an/an/a 1.50E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21529
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCc3cccnc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C22H34N4O10S/c1-10(29)25-15-17(31)19(13(9-28)35-20(15)33-2)36-21-18(32)14(16(30)12(8-27)34-21)26-22(37)24-7-11-4-3-5-23-6-11/h3-6,12-21,27-28,30-32H,7-9H2,1-2H3,(H,25,29)(H2,24,26,37)/t12-,13-,14+,15-,16+,17-,18-,19-,20-,21+/m1/s1
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n/an/an/a 3.50E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21530
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-[(cyclo...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NC3CCCCC3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C22H39N3O10S/c1-10(28)23-15-17(30)19(13(9-27)34-20(15)32-2)35-21-18(31)14(16(29)12(8-26)33-21)25-22(36)24-11-6-4-3-5-7-11/h11-21,26-27,29-31H,3-9H2,1-2H3,(H,23,28)(H2,24,25,36)/t12-,13-,14+,15-,16+,17-,18-,19-,20-,21+/m1/s1
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n/an/an/a 5.70E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21531
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)N3CCOCC3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C20H35N3O11S/c1-9(26)21-13-15(28)17(11(8-25)33-18(13)30-2)34-19-16(29)12(14(27)10(7-24)32-19)22-20(35)23-3-5-31-6-4-23/h10-19,24-25,27-29H,3-8H2,1-2H3,(H,21,26)(H,22,35)/t10-,11-,12+,13-,14+,15-,16-,17-,18-,19+/m1/s1
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n/an/an/a 6.90E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21532
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-({[(2S,...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)N[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]4CO)[C@@H]3O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C31H54N4O20S/c1-9(40)32-17-21(44)25(13(7-38)52-27(17)48-3)54-29-23(46)15(19(42)11(5-36)50-29)34-31(56)35-16-20(43)12(6-37)51-30(24(16)47)55-26-14(8-39)53-28(49-4)18(22(26)45)33-10(2)41/h11-30,36-39,42-47H,5-8H2,1-4H3,(H,32,40)(H,33,41)(H2,34,35,56)/t11-,12-,13-,14-,15+,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+/m1/s1
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n/an/an/a 1.60E+5n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21533
PNG
(N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1
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n/an/an/a 6.70E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21534
PNG
(Galactose-Derived Compound 12 | [(2S,3R,4S,5R,6R)-...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OS(O)(=O)=O
Show InChI InChI=1S/C15H21NO8S2/c1-8-3-5-9(6-4-8)14(19)16-11-12(18)10(7-17)23-15(25-2)13(11)24-26(20,21)22/h3-6,10-13,15,17-18H,7H2,1-2H3,(H,16,19)(H,20,21,22)/t10-,11+,12+,13-,15+/m1/s1
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n/an/an/a 8.70E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


J Med Chem 51: 2297-301 (2008)


Article DOI: 10.1021/jm701266y
BindingDB Entry DOI: 10.7270/Q26H4FQZ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21535
PNG
(Galactose-Derived Compound 13 | {[(2S,3R,4S,5R,6R)...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OP(O)=O
Show InChI InChI=1S/C15H22NO7PS/c1-8-3-5-9(6-4-8)14(19)16-11-12(18)10(7-17)22-15(25-2)13(11)23-24(20)21/h3-6,10-13,15,17-18,24H,7H2,1-2H3,(H,16,19)(H,20,21)/t10-,11+,12+,13-,15+/m1/s1
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PubMed
n/an/an/a 1.50E+5n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


J Med Chem 51: 2297-301 (2008)


Article DOI: 10.1021/jm701266y
BindingDB Entry DOI: 10.7270/Q26H4FQZ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21536
PNG
(Galactose-Derived Compound 14 | {[(2S,3R,4S,5R,6R)...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C15H22NO8PS/c1-8-3-5-9(6-4-8)14(19)16-11-12(18)10(7-17)23-15(26-2)13(11)24-25(20,21)22/h3-6,10-13,15,17-18H,7H2,1-2H3,(H,16,19)(H2,20,21,22)/t10-,11+,12+,13-,15+/m1/s1
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n/an/an/a 2.50E+5n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


J Med Chem 51: 2297-301 (2008)


Article DOI: 10.1021/jm701266y
BindingDB Entry DOI: 10.7270/Q26H4FQZ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21537
PNG
((benzyloxy)({[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydrox...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OP(O)(=O)OCc1ccccc1
Show InChI InChI=1S/C22H28NO8PS/c1-14-8-10-16(11-9-14)21(26)23-18-19(25)17(12-24)30-22(33-2)20(18)31-32(27,28)29-13-15-6-4-3-5-7-15/h3-11,17-20,22,24-25H,12-13H2,1-2H3,(H,23,26)(H,27,28)/t17-,18+,19+,20-,22+/m1/s1
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n/an/an/a 1.20E+5n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


J Med Chem 51: 2297-301 (2008)


Article DOI: 10.1021/jm701266y
BindingDB Entry DOI: 10.7270/Q26H4FQZ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21538
PNG
((2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(4...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OC(C)=O
Show InChI InChI=1S/C17H23NO6S/c1-9-4-6-11(7-5-9)16(22)18-13-14(21)12(8-19)24-17(25-3)15(13)23-10(2)20/h4-7,12-15,17,19,21H,8H2,1-3H3,(H,18,22)/t12-,13+,14+,15-,17+/m1/s1
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n/an/an/a 2.40E+5n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


J Med Chem 51: 2297-301 (2008)


Article DOI: 10.1021/jm701266y
BindingDB Entry DOI: 10.7270/Q26H4FQZ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21539
PNG
(Galactose-Derived Compound 17 | N-[(2S,3R,4S,5R,6R...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C22H27NO5S/c1-14-8-10-16(11-9-14)21(26)23-18-19(25)17(12-24)28-22(29-2)20(18)27-13-15-6-4-3-5-7-15/h3-11,17-20,22,24-25H,12-13H2,1-2H3,(H,23,26)/t17-,18+,19+,20-,22+/m1/s1
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n/an/an/a 3.80E+5n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


J Med Chem 51: 2297-301 (2008)


Article DOI: 10.1021/jm701266y
BindingDB Entry DOI: 10.7270/Q26H4FQZ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21540
PNG
(Galactose-Derived Compound 18 | N-[(2R,3R,4S,5R,6S...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1O
Show InChI InChI=1S/C15H21NO5S/c1-8-3-5-9(6-4-8)14(20)16-11-12(18)10(7-17)21-15(22-2)13(11)19/h3-6,10-13,15,17-19H,7H2,1-2H3,(H,16,20)/t10-,11+,12+,13-,15+/m1/s1
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n/an/an/a 2.20E+5n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


J Med Chem 51: 2297-301 (2008)


Article DOI: 10.1021/jm701266y
BindingDB Entry DOI: 10.7270/Q26H4FQZ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21541
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(methylsulfan...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
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n/an/an/a 5.90E+6n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


J Med Chem 51: 2297-301 (2008)


Article DOI: 10.1021/jm701266y
BindingDB Entry DOI: 10.7270/Q26H4FQZ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21521
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CNC(=S)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO)[C@@H]1O
Show InChI InChI=1S/C17H31N3O10S/c1-6(23)19-10-12(25)14(8(5-22)29-15(10)27-3)30-16-13(26)9(20-17(31)18-2)11(24)7(4-21)28-16/h7-16,21-22,24-26H,4-5H2,1-3H3,(H,19,23)(H2,18,20,31)/t7-,8-,9+,10-,11+,12-,13-,14-,15-,16+/m1/s1
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n/an/an/a 3.80E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50423644
PNG
(GALACTOSE)
Show SMILES OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
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n/an/a 5.00E+7n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 3 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM120768
PNG
(US8703720, Reference Compound 1)
Show SMILES CO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3?,4-,5-,6?,7+/m0/s1
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n/an/an/a 4.40E+6n/an/an/an/an/a



Galecto Biotech AB

US Patent


Assay Description
Compounds 7, 15-19, and 22 were evaluated for their efficiency in inhibiting galectin-1 and galectin-3 in a known fluorescence polarization-based ass...


US Patent US8703720 (2014)


BindingDB Entry DOI: 10.7270/Q2VD6X4R
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM120769
PNG
(US8703720, Reference Compound 2)
Show SMILES CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)C1NC(C)=O
Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6?,7?,8?,9-,10+,11-,12?,13+,14+,15-/m0/s1
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n/an/an/a 5.90E+4n/an/an/an/an/a



Galecto Biotech AB

US Patent


Assay Description
Compounds 7, 15-19, and 22 were evaluated for their efficiency in inhibiting galectin-1 and galectin-3 in a known fluorescence polarization-based ass...


US Patent US8703720 (2014)


BindingDB Entry DOI: 10.7270/Q2VD6X4R
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM120770
PNG
(US8703720, 7)
Show SMILES CCCNC(=O)c1cn(nn1)C1CCC[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)C(=O)NCCC)C1O
Show InChI InChI=1S/C24H38N8O8/c1-3-8-25-22(37)13-10-31(29-27-13)15-6-5-7-16(19(15)34)39-24-21(36)18(20(35)17(12-33)40-24)32-11-14(28-30-32)23(38)26-9-4-2/h10-11,15-21,24,33-36H,3-9,12H2,1-2H3,(H,25,37)(H,26,38)/t15?,16-,17?,18+,19?,20+,21?,24-/m1/s1
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Galecto Biotech AB

US Patent


Assay Description
Compounds 7, 15-19, and 22 were evaluated for their efficiency in inhibiting galectin-1 and galectin-3 in a known fluorescence polarization-based ass...


US Patent US8703720 (2014)


BindingDB Entry DOI: 10.7270/Q2VD6X4R
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM120771
PNG
(US8703720, 15)
Show SMILES OCC1O[C@@H](S[C@@H]2CCCC(C2O)n2cc(nn2)-c2ccccc2F)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1ccccc1F
Show InChI InChI=1S/C28H30F2N6O5S/c29-17-8-3-1-6-15(17)19-12-35(33-31-19)21-10-5-11-23(25(21)38)42-28-27(40)24(26(39)22(14-37)41-28)36-13-20(32-34-36)16-7-2-4-9-18(16)30/h1-4,6-9,12-13,21-28,37-40H,5,10-11,14H2/t21?,22?,23-,24+,25?,26+,27?,28+/m1/s1
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n/an/an/a 230n/an/an/an/an/a



Galecto Biotech AB

US Patent


Assay Description
Compounds 7, 15-19, and 22 were evaluated for their efficiency in inhibiting galectin-1 and galectin-3 in a known fluorescence polarization-based ass...


US Patent US8703720 (2014)


BindingDB Entry DOI: 10.7270/Q2VD6X4R
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM120772
PNG
(US8703720, 16)
Show SMILES OCC1O[C@@H](S[C@@H]2CCCC(C2O)n2cc(nn2)-c2cccc(F)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1
Show InChI InChI=1S/C28H30F2N6O5S/c29-17-6-1-4-15(10-17)19-12-35(33-31-19)21-8-3-9-23(25(21)38)42-28-27(40)24(26(39)22(14-37)41-28)36-13-20(32-34-36)16-5-2-7-18(30)11-16/h1-2,4-7,10-13,21-28,37-40H,3,8-9,14H2/t21?,22?,23-,24+,25?,26+,27?,28+/m1/s1
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n/an/an/a 150n/an/an/an/an/a



Galecto Biotech AB

US Patent


Assay Description
Compounds 7, 15-19, and 22 were evaluated for their efficiency in inhibiting galectin-1 and galectin-3 in a known fluorescence polarization-based ass...


US Patent US8703720 (2014)


BindingDB Entry DOI: 10.7270/Q2VD6X4R
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM120773
PNG
(US8703720, 17)
Show SMILES OCC1O[C@@H](S[C@@H]2CCCC(C2O)n2cc(nn2)-c2ccc(F)cc2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N6O5S/c29-17-8-4-15(5-9-17)19-12-35(33-31-19)21-2-1-3-23(25(21)38)42-28-27(40)24(26(39)22(14-37)41-28)36-13-20(32-34-36)16-6-10-18(30)11-7-16/h4-13,21-28,37-40H,1-3,14H2/t21?,22?,23-,24+,25?,26+,27?,28+/m1/s1
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n/an/an/a 210n/an/an/an/an/a



Galecto Biotech AB

US Patent


Assay Description
Compounds 7, 15-19, and 22 were evaluated for their efficiency in inhibiting galectin-1 and galectin-3 in a known fluorescence polarization-based ass...


US Patent US8703720 (2014)


BindingDB Entry DOI: 10.7270/Q2VD6X4R
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM120774
PNG
(US8703720, 18)
Show SMILES OCC1O[C@@H](S[C@@H]2CCCC(C2O)n2cc(nn2)-c2ccsc2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1ccsc1
Show InChI InChI=1S/C24H28N6O5S3/c31-10-18-22(33)20(30-9-16(26-28-30)14-5-7-37-12-14)23(34)24(35-18)38-19-3-1-2-17(21(19)32)29-8-15(25-27-29)13-4-6-36-11-13/h4-9,11-12,17-24,31-34H,1-3,10H2/t17?,18?,19-,20+,21?,22+,23?,24+/m1/s1
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Galecto Biotech AB

US Patent


Assay Description
Compounds 7, 15-19, and 22 were evaluated for their efficiency in inhibiting galectin-1 and galectin-3 in a known fluorescence polarization-based ass...


US Patent US8703720 (2014)


BindingDB Entry DOI: 10.7270/Q2VD6X4R
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM120775
PNG
(US8703720, 19)
Show SMILES CCCNC(=O)c1cn(nn1)C1CCC[C@@H](S[C@@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)C(=O)NCCC)C1O
Show InChI InChI=1S/C24H38N8O7S/c1-3-8-25-22(37)13-10-31(29-27-13)15-6-5-7-17(19(15)34)40-24-21(36)18(20(35)16(12-33)39-24)32-11-14(28-30-32)23(38)26-9-4-2/h10-11,15-21,24,33-36H,3-9,12H2,1-2H3,(H,25,37)(H,26,38)/t15?,16?,17-,18+,19?,20+,21?,24+/m1/s1
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n/an/an/a 190n/an/an/an/an/a



Galecto Biotech AB

US Patent


Assay Description
Compounds 7, 15-19, and 22 were evaluated for their efficiency in inhibiting galectin-1 and galectin-3 in a known fluorescence polarization-based ass...


US Patent US8703720 (2014)


BindingDB Entry DOI: 10.7270/Q2VD6X4R
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM120776
PNG
(US8703720, 23)
Show SMILES OCC1O[C@@H](S[C@@H]2CCCC(NC(=O)c3ccc(Cl)cc3)C2O)C(O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H]1O
Show InChI InChI=1S/C26H30Cl2N2O7S/c27-15-8-4-13(5-9-15)24(35)29-17-2-1-3-19(21(17)32)38-26-23(34)20(22(33)18(12-31)37-26)30-25(36)14-6-10-16(28)11-7-14/h4-11,17-23,26,31-34H,1-3,12H2,(H,29,35)(H,30,36)/t17?,18?,19-,20+,21?,22+,23?,26+/m1/s1
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n/an/an/a 1.40E+3n/an/an/an/an/a



Galecto Biotech AB

US Patent


Assay Description
Compounds 7, 15-19, and 22 were evaluated for their efficiency in inhibiting galectin-1 and galectin-3 in a known fluorescence polarization-based ass...


US Patent US8703720 (2014)


BindingDB Entry DOI: 10.7270/Q2VD6X4R
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM223990
PNG
(2-[6-Maleimide)caproyl]ethyl [3-O-(2-naphthyl)meth...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(OCc3ccc4ccccc4c3)C2O)C(CO)O[C@H]1OCCNC(=O)CCCCCN1C(=O)C=CC1=O
Show InChI InChI=1S/C43H53N3O15/c1-56-29-11-7-10-28(21-29)41(55)45-35-37(53)39(31(23-48)60-42(35)57-19-17-44-32(49)12-3-2-6-18-46-33(50)15-16-34(46)51)61-43-38(54)40(36(52)30(22-47)59-43)58-24-25-13-14-26-8-4-5-9-27(26)20-25/h4-5,7-11,13-16,20-21,30-31,35-40,42-43,47-48,52-54H,2-3,6,12,17-19,22-24H2,1H3,(H,44,49)(H,45,55)/t30?,31?,35?,36-,37?,38?,39+,40?,42+,43-/m0/s1
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n/an/an/a 14n/an/an/an/a4



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM223990
PNG
(2-[6-Maleimide)caproyl]ethyl [3-O-(2-naphthyl)meth...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(OCc3ccc4ccccc4c3)C2O)C(CO)O[C@H]1OCCNC(=O)CCCCCN1C(=O)C=CC1=O
Show InChI InChI=1S/C43H53N3O15/c1-56-29-11-7-10-28(21-29)41(55)45-35-37(53)39(31(23-48)60-42(35)57-19-17-44-32(49)12-3-2-6-18-46-33(50)15-16-34(46)51)61-43-38(54)40(36(52)30(22-47)59-43)58-24-25-13-14-26-8-4-5-9-27(26)20-25/h4-5,7-11,13-16,20-21,30-31,35-40,42-43,47-48,52-54H,2-3,6,12,17-19,22-24H2,1H3,(H,44,49)(H,45,55)/t30?,31?,35?,36-,37?,38?,39+,40?,42+,43-/m0/s1
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n/an/an/a 82n/an/an/an/a25



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM223991
PNG
([3-O-(2-naphthyl)methyl-β-D-galactopyranosyl]...)
Show SMILES COc1cccc(c1)C(=O)CC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(OCc3ccc4ccccc4c3)C2O)C(CO)O[C@H]1OCC[N-][N+]#N
Show InChI InChI=1S/C34H41N3O12/c1-44-23-8-4-7-22(14-23)25(40)15-24-28(41)31(27(17-39)48-33(24)45-12-11-36-37-35)49-34-30(43)32(29(42)26(16-38)47-34)46-18-19-9-10-20-5-2-3-6-21(20)13-19/h2-10,13-14,24,26-34,38-39,41-43H,11-12,15-18H2,1H3/t24?,26?,27?,28?,29-,30?,31+,32?,33+,34-/m0/s1
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n/an/an/a 590n/an/an/an/a4



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM223991
PNG
([3-O-(2-naphthyl)methyl-β-D-galactopyranosyl]...)
Show SMILES COc1cccc(c1)C(=O)CC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(OCc3ccc4ccccc4c3)C2O)C(CO)O[C@H]1OCC[N-][N+]#N
Show InChI InChI=1S/C34H41N3O12/c1-44-23-8-4-7-22(14-23)25(40)15-24-28(41)31(27(17-39)48-33(24)45-12-11-36-37-35)49-34-30(43)32(29(42)26(16-38)47-34)46-18-19-9-10-20-5-2-3-6-21(20)13-19/h2-10,13-14,24,26-34,38-39,41-43H,11-12,15-18H2,1H3/t24?,26?,27?,28?,29-,30?,31+,32?,33+,34-/m0/s1
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n/an/an/a 2.99E+3n/an/an/an/a25



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM223992
PNG
(4-O-[3-O-(3-methoxybenzyl)-β-D-galactopyranos...)
Show SMILES COc1cccc(COC2[C@@H](O)C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](N=[N+]=[N-])C(NC(=O)c4cccc(OC)c4)C3O)C2O)c1
Show InChI InChI=1S/C28H36N4O12/c1-39-16-7-3-5-14(9-16)13-41-25-21(35)18(11-33)43-28(23(25)37)44-24-19(12-34)42-27(31-32-29)20(22(24)36)30-26(38)15-6-4-8-17(10-15)40-2/h3-10,18-25,27-28,33-37H,11-13H2,1-2H3,(H,30,38)/t18?,19?,20?,21-,22?,23?,24+,25?,27+,28-/m0/s1
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n/an/an/a 660n/an/an/an/a4



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM223992
PNG
(4-O-[3-O-(3-methoxybenzyl)-β-D-galactopyranos...)
Show SMILES COc1cccc(COC2[C@@H](O)C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](N=[N+]=[N-])C(NC(=O)c4cccc(OC)c4)C3O)C2O)c1
Show InChI InChI=1S/C28H36N4O12/c1-39-16-7-3-5-14(9-16)13-41-25-21(35)18(11-33)43-28(23(25)37)44-24-19(12-34)42-27(31-32-29)20(22(24)36)30-26(38)15-6-4-8-17(10-15)40-2/h3-10,18-25,27-28,33-37H,11-13H2,1-2H3,(H,30,38)/t18?,19?,20?,21-,22?,23?,24+,25?,27+,28-/m0/s1
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n/an/an/a 3.27E+3n/an/an/an/a25



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM223993
PNG
(TD139)
Show SMILES OCC1O[C@@H](S[C@@H]2OC(CO)[C@H](O)C(C2O)n2cc(nn2)-c2cccc(F)c2)C(O)C([C@H]1O)n1cc(nn1)-c1cccc(F)c1
Show InChI InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19?,20?,21?,22?,23-,24-,25?,26?,27-,28-/m0/s1
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n/an/an/a 36n/an/an/an/a4



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM223993
PNG
(TD139)
Show SMILES OCC1O[C@@H](S[C@@H]2OC(CO)[C@H](O)C(C2O)n2cc(nn2)-c2cccc(F)c2)C(O)C([C@H]1O)n1cc(nn1)-c1cccc(F)c1
Show InChI InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19?,20?,21?,22?,23-,24-,25?,26?,27-,28-/m0/s1
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n/an/an/a 166n/an/an/an/a25



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50336204
PNG
(12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-...)
Show SMILES OC[C@H]1OC(O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCCCCCCCCS)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H46O11S/c25-13-15-17(27)18(28)20(30)24(33-15)35-22-16(14-26)34-23(21(31)19(22)29)32-11-9-7-5-3-1-2-4-6-8-10-12-36/h15-31,36H,1-14H2/t15-,16-,17+,18+,19-,20-,21-,22-,23-,24?/m1/s1
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n/an/an/a 1.10n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-3 by surface plasmon resonance method


Bioorg Med Chem Lett 21: 1265-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.049
BindingDB Entry DOI: 10.7270/Q29G5N3B
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50336202
PNG
(12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-...)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@@H](OCCCCCCCCCCCCS)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H46O10S/c25-14-17-20(28)21(29)22(30)24(33-17)34-23-16(27)13-19(32-18(23)15-26)31-11-9-7-5-3-1-2-4-6-8-10-12-35/h16-30,35H,1-15H2/t16-,17-,18-,19+,20+,21+,22-,23+,24+/m1/s1
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n/an/an/a 1.40n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-3 by surface plasmon resonance method


Bioorg Med Chem Lett 21: 1265-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.049
BindingDB Entry DOI: 10.7270/Q29G5N3B
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50336203
PNG
(12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1OCCCCCCCCCCCCS
Show InChI InChI=1S/C26H49NO11S/c1-16(30)27-19-21(32)24(38-26-23(34)22(33)20(31)17(14-28)36-26)18(15-29)37-25(19)35-12-10-8-6-4-2-3-5-7-9-11-13-39/h17-26,28-29,31-34,39H,2-15H2,1H3,(H,27,30)/t17-,18-,19-,20+,21-,22+,23-,24-,25+,26+/m1/s1
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n/an/an/a 2.20n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-3 by surface plasmon resonance method


Bioorg Med Chem Lett 21: 1265-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.049
BindingDB Entry DOI: 10.7270/Q29G5N3B
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50370453
PNG
(LACTOSE | Lactose, anhydrous)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
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n/an/an/a 2.30E+5n/an/an/an/an/a



Janssen Pharmaceutical Research and Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to galectin-3 (unknown origin)


J Med Chem 57: 7819-37 (2014)


Article DOI: 10.1021/jm500325k
BindingDB Entry DOI: 10.7270/Q2JW8GH3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50045334
PNG
(CHEMBL3337492)
Show SMILES CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccccc3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C21H30N2O11/c1-9(26)22-14-16(28)18(12(8-25)32-20(14)31)34-21-17(29)13(15(27)11(7-24)33-21)23-19(30)10-5-3-2-4-6-10/h2-6,11-18,20-21,24-25,27-29,31H,7-8H2,1H3,(H,22,26)(H,23,30)/t11-,12-,13+,14-,15+,16-,17-,18-,20?,21+/m1/s1
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n/an/an/a 1.82E+4n/an/an/an/an/a



Janssen Pharmaceutical Research and Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to galectin-3 (unknown origin)


J Med Chem 57: 7819-37 (2014)


Article DOI: 10.1021/jm500325k
BindingDB Entry DOI: 10.7270/Q2JW8GH3
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50045335
PNG
(CHEMBL3337493)
Show SMILES COc1c(F)c(F)c(C(=O)N[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)[C@@H]2O)c(F)c1F
Show InChI InChI=1S/C22H28F4N2O12/c1-5(31)27-14-16(33)18(7(4-30)38-21(14)36)40-22-17(34)13(15(32)6(3-29)39-22)28-20(35)8-9(23)11(25)19(37-2)12(26)10(8)24/h6-7,13-18,21-22,29-30,32-34,36H,3-4H2,1-2H3,(H,27,31)(H,28,35)/t6-,7-,13+,14-,15+,16-,17-,18-,21?,22+/m1/s1
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n/an/an/a 3.30E+3n/an/an/an/an/a



Janssen Pharmaceutical Research and Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to galectin-3 (unknown origin)


J Med Chem 57: 7819-37 (2014)


Article DOI: 10.1021/jm500325k
BindingDB Entry DOI: 10.7270/Q2JW8GH3
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50048091
PNG
(CHEMBL3311520)
Show SMILES Cc1ccc(cc1)S(=O)(=O)\N=c1/oc2ccccc2cc1CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C23H25NO9S/c1-13-6-8-16(9-7-13)34(29,30)24-22-15(10-14-4-2-3-5-17(14)32-22)12-31-23-21(28)20(27)19(26)18(11-25)33-23/h2-10,18-21,23,25-28H,11-12H2,1H3/b24-22-/t18-,19+,20+,21-,23-/m1/s1
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n/an/an/a 1.00E+7n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 3 by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3516-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.063
BindingDB Entry DOI: 10.7270/Q2PC341V
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50048092
PNG
(CHEMBL3311521)
Show SMILES Cc1ccc(cc1)S(=O)(=O)\N=c1/oc2ccccc2cc1CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C29H35NO14S/c1-14-6-8-17(9-7-14)45(38,39)30-27-16(10-15-4-2-3-5-18(15)41-27)13-40-28-25(37)23(35)26(20(12-32)43-28)44-29-24(36)22(34)21(33)19(11-31)42-29/h2-10,19-26,28-29,31-37H,11-13H2,1H3/b30-27-/t19-,20-,21+,22+,23-,24-,25-,26-,28-,29+/m1/s1
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n/an/an/a 1.30E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 3 by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3516-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.063
BindingDB Entry DOI: 10.7270/Q2PC341V
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50243888
PNG
(CHEMBL442951 | methyl beta-D-galactopyranoside | m...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
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n/an/an/a 4.40E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 3 by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3516-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.063
BindingDB Entry DOI: 10.7270/Q2PC341V
More data for this
Ligand-Target Pair
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