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Compile Data Set for Download or QSAR

Found 106 hits Enz. Inhib. hit(s) with Target = 'Galectin-1'   
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-1


(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 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-1


(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 4.90E+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-1


(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 3.40E+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-1


(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-1


(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 4.60E+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-1


(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 4.90E+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-1


(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 7.00E+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-1


(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 4.50E+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-1


(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 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-1


(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 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-1


(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 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-1


(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 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-1


(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 5.80E+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-1


(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 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-1


(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 1 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-1


(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>1.00E+7n/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-1


(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 6.50E+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-1


(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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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-1


(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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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-1


(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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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-1


(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-1


(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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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-1


(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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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-1


(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 1.60E+4n/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-1


(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 4.30E+4n/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-1


(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 2.70E+4n/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-1


(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 2.30E+4n/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-1


(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 2.20E+3n/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-1


(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 3.60E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 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-1


(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 5.00E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 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-1


(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 1.00E+7n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 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-1


(Homo sapiens (human))
BDBM50048093
PNG
(CHEBI:610092 | CHEMBL503075 | Lactoside | Methyl B...)
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]1O
Show InChI InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
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n/an/an/a 1.90E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 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-1


(Homo sapiens (human))
BDBM50048094
PNG
(CHEMBL3311522)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3o\c2=N/S(=O)(=O)c2ccc(C)cc2)[C@H]1O
Show InChI InChI=1S/C24H27NO9S/c1-14-7-9-17(10-8-14)35(29,30)25-23-16(11-15-5-3-4-6-18(15)33-23)13-32-22-20(27)19(12-26)34-24(31-2)21(22)28/h3-11,19-22,24,26-28H,12-13H2,1-2H3/b25-23-/t19-,20+,21-,22+,24+/m1/s1
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n/an/an/a 1.70E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 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-1


(Homo sapiens (human))
BDBM50048095
PNG
(CHEMBL3311523)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3o\c2=N/S(=O)(=O)c2ccc(C)cc2)[C@H]1OC(C)=O
Show InChI InChI=1S/C26H29NO10S/c1-15-8-10-19(11-9-15)38(31,32)27-25-18(12-17-6-4-5-7-20(17)36-25)14-34-23-22(30)21(13-28)37-26(33-3)24(23)35-16(2)29/h4-12,21-24,26,28,30H,13-14H2,1-3H3/b27-25-/t21-,22+,23+,24-,26+/m1/s1
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n/an/an/a 5.10E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 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-1


(Homo sapiens (human))
BDBM50048096
PNG
(CHEMBL3311524)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3o\c2=N/S(=O)(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C23H25NO9S/c1-30-23-20(27)21(19(26)18(12-25)33-23)31-13-15-11-14-7-5-6-10-17(14)32-22(15)24-34(28,29)16-8-3-2-4-9-16/h2-11,18-21,23,25-27H,12-13H2,1H3/b24-22-/t18-,19+,20-,21+,23+/m1/s1
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n/an/an/a 6.50E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 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-1


(Homo sapiens (human))
BDBM50048097
PNG
(CHEMBL3311525)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3o\c2=N/S(=O)(=O)c2ccccc2)[C@H]1OC(C)=O
Show InChI InChI=1S/C25H27NO10S/c1-15(28)34-23-22(21(29)20(13-27)36-25(23)32-2)33-14-17-12-16-8-6-7-11-19(16)35-24(17)26-37(30,31)18-9-4-3-5-10-18/h3-12,20-23,25,27,29H,13-14H2,1-2H3/b26-24-/t20-,21+,22+,23-,25+/m1/s1
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n/an/an/a 4.50E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 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-1


(Homo sapiens (human))
BDBM50048098
PNG
(CHEMBL3311526)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O
Show InChI InChI=1S/C17H20O8/c1-22-17-14(20)15(13(19)12(7-18)25-17)23-8-10-6-9-4-2-3-5-11(9)24-16(10)21/h2-6,12-15,17-20H,7-8H2,1H3/t12-,13+,14-,15+,17+/m1/s1
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n/an/an/a 1.90E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 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-1


(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 9.80E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 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-1


(Homo sapiens (human))
BDBM50034081
PNG
(CHEBI:55507 | CHEMBL467773)
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>1.00E+7n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 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-1


(Homo sapiens (human))
BDBM50244378
PNG
((2R,3S,4S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1O
Show InChI InChI=1S/C15H20O7/c1-8-3-5-9(6-4-8)14(19)22-13-11(17)10(7-16)21-15(20-2)12(13)18/h3-6,10-13,15-18H,7H2,1-2H3/t10-,11+,12+,13+,15-/m1/s1
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n/an/an/a 2.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin1 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50243801
PNG
(CHEMBL486246 | triethylammonium (2R,3S,4S,5S,6R)-5...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OP([O-])(=O)OC
Show InChI InChI=1S/C16H23O10P/c1-9-4-6-10(7-5-9)15(19)25-13-12(18)11(8-17)24-16(22-2)14(13)26-27(20,21)23-3/h4-7,11-14,16-18H,8H2,1-3H3,(H,20,21)/p-1/t11-,12+,13+,14+,16-/m1/s1
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n/an/an/a>4.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin1 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50243734
PNG
(CHEMBL479534 | triethylazanium (2R,3S,4S,5S,6R)-5-...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OP([O-])(=O)OCc1ccc(C)cc1
Show InChI InChI=1S/C23H29O10P/c1-14-4-8-16(9-5-14)13-30-34(27,28)33-21-20(19(25)18(12-24)31-23(21)29-3)32-22(26)17-10-6-15(2)7-11-17/h4-11,18-21,23-25H,12-13H2,1-3H3,(H,27,28)/p-1/t18-,19+,20+,21+,23-/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
Binding affinity to human galectin1 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50243733
PNG
(CHEMBL471377 | triethylammonium (2R,3S,4S,5S,6R)-5...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OP([O-])=O
Show InChI InChI=1S/C15H21O9P/c1-8-3-5-9(6-4-8)14(18)23-12-11(17)10(7-16)22-15(21-2)13(12)24-25(19)20/h3-6,10-13,15-17,25H,7H2,1-2H3,(H,19,20)/p-1/t10-,11+,12+,13+,15-/m1/s1
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n/an/an/a>4.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin1 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50243732
PNG
(CHEMBL511306 | triethylammonium (2R,3S,4S,5S,6R)-5...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C15H20O10S/c1-8-3-5-9(6-4-8)14(18)24-12-11(17)10(7-16)23-15(22-2)13(12)25-26(19,20)21/h3-6,10-13,15-17H,7H2,1-2H3,(H,19,20,21)/p-1/t10-,11+,12+,13+,15-/m1/s1
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n/an/an/a>4.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin1 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50243731
PNG
((2R,3S,4S,5S,6R)-3-acetoxy-5-hydroxy-6-(hydroxymet...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(C)=O
Show InChI InChI=1S/C17H22O8/c1-9-4-6-11(7-5-9)16(21)25-14-13(20)12(8-18)24-17(22-3)15(14)23-10(2)19/h4-7,12-15,17-18,20H,8H2,1-3H3/t12-,13+,14+,15+,17-/m1/s1
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n/an/an/a>4.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin1 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-1


(Homo sapiens (human))
BDBM50244379
PNG
((2R,3S,4S,5S,6R)-3-hydroxy-2-(hydroxymethyl)-6-met...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H26O8/c1-13-4-8-15(9-5-13)21(26)30-19-18(25)17(12-24)29-23(28-3)20(19)31-22(27)16-10-6-14(2)7-11-16/h4-11,17-20,23-25H,12H2,1-3H3/t17-,18+,19+,20+,23-/m1/s1
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n/an/an/a 1.80E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin1 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50244377
PNG
(CHEMBL502337 | methyl beta-D-talopyranoside)
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>1.00E+7n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin1 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50272333
PNG
(2-p-Anisamido-5-(beta-D-galactopyranosyl)-4-methyl...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1
Show InChI InChI=1S/C19H24N2O7S/c1-9-14(7-12-15(23)17(25)16(24)13(8-22)28-12)29-19(20-9)21-18(26)10-3-5-11(27-2)6-4-10/h3-6,12-13,15-17,22-25H,7-8H2,1-2H3,(H,20,21,26)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 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-1


(Homo sapiens (human))
BDBM50272332
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-p-nitro-ben...)
Show SMILES Cc1nc(NC(=O)c2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N3O8S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)29-11)30-18(19-8)20-17(26)9-2-4-10(5-3-9)21(27)28/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,19,20,26)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 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-1


(Homo sapiens (human))
BDBM50272304
PNG
(2-Benzamido-5-(beta-D-galactopyranosyl)-4-methylth...)
Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H22N2O6S/c1-9-13(7-11-14(22)16(24)15(23)12(8-21)26-11)27-18(19-9)20-17(25)10-5-3-2-4-6-10/h2-6,11-12,14-16,21-24H,7-8H2,1H3,(H,19,20,25)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 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
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