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Compile Data Set for Download or QSAR

Found 66 hits of kd data for polymerid = 2166   
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))
BDBM50425519
PNG
(CHEMBL2313626)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cccc(O)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C28H32N6O10S/c35-11-19-23(39)21(33-9-17(29-31-33)13-3-1-5-15(37)7-13)25(41)27(43-19)45-28-26(42)22(24(40)20(12-36)44-28)34-10-18(30-32-34)14-4-2-6-16(38)8-14/h1-10,19-28,35-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1
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n/an/an/a 13n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay


J Med Chem 56: 1350-4 (2013)


Article DOI: 10.1021/jm301677r
BindingDB Entry DOI: 10.7270/Q2NK3GBS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50425520
PNG
(CHEMBL2313627)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccccc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C28H32N6O8S/c35-13-19-23(37)21(33-11-17(29-31-33)15-7-3-1-4-8-15)25(39)27(41-19)43-28-26(40)22(24(38)20(14-36)42-28)34-12-18(30-32-34)16-9-5-2-6-10-16/h1-12,19-28,35-40H,13-14H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1
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n/an/an/a 49n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay


J Med Chem 56: 1350-4 (2013)


Article DOI: 10.1021/jm301677r
BindingDB Entry DOI: 10.7270/Q2NK3GBS
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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n/an/an/a 350n/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))
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 1.20E+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-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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n/an/an/a 1.30E+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-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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n/an/an/a 1.50E+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-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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n/an/an/a 1.90E+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-1


(Homo sapiens (human))
BDBM50273580
PNG
(CHEMBL503116 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES COc1cccc(c1)C(=O)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H36N2O12S/c1-39-15-7-3-5-13(9-15)25(37)29-19-21(33)17(11-31)41-27(23(19)35)43-28-24(36)20(22(34)18(12-32)42-28)30-26(38)14-6-4-8-16(10-14)40-2/h3-10,17-24,27-28,31-36H,11-12H2,1-2H3,(H,29,37)(H,30,38)/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 0 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50273431
PNG
(Bis-[3-O-(3-methoxybenzoyl)-beta-D-galactopyranosy...)
Show SMILES COc1cccc(c1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O14S/c1-37-15-7-3-5-13(9-15)25(35)41-23-19(31)17(11-29)39-27(21(23)33)43-28-22(34)24(20(32)18(12-30)40-28)42-26(36)14-6-4-8-16(10-14)38-2/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/m1/s1
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n/an/an/a 4.40E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 20 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50420903
PNG
(CHEMBL221186)
Show SMILES CN(C)CCNC(=O)COc1c2Cc3cccc(Cc4cccc(Cc5cccc(Cc1ccc2)c5OCC(=O)NCCN(C)C)c4OCC(=O)NCCN(C)C)c3OCC(=O)NCCN(C)C
Show InChI InChI=1S/C52H72N8O8/c1-57(2)25-21-53-45(61)33-65-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)67-35-47(63)55-23-27-59(5)6)32-44-20-12-19-43(52(44)68-36-48(64)56-24-28-60(7)8)31-41-17-10-15-39(29-37)50(41)66-34-46(62)54-22-26-58(3)4/h9-20H,21-36H2,1-8H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64)
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n/an/an/a 5.00E+3n/an/an/an/an/a



University of Minnesota Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity to human [15N]-labelled Galectin-1 by heteronuclear NMR spectroscopy analysis


J Med Chem 55: 5121-9 (2012)


Article DOI: 10.1021/jm300014q
BindingDB Entry DOI: 10.7270/Q2FF3TNQ
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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n/an/an/a 6.30E+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-1


(Homo sapiens (human))
BDBM50273430
PNG
(Bis-(3-O-benzoyl-beta-D-galactopyranosyl)sulfane |...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C26H30O12S/c27-11-15-17(29)21(37-23(33)13-7-3-1-4-8-13)19(31)25(35-15)39-26-20(32)22(18(30)16(12-28)36-26)38-24(34)14-9-5-2-6-10-14/h1-10,15-22,25-32H,11-12H2/t15-,16-,17+,18+,19-,20-,21+,22+,25+,26+/m1/s1
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n/an/an/a 6.40E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 20 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50425514
PNG
(CHEMBL2313334)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCN=[N+]=[N-])[C@H](NC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C36H41N7O11/c37-41-38-16-7-17-50-35-28(39-34(49)22-8-3-1-4-9-22)31(47)33(27(20-45)53-35)54-36-32(48)29(30(46)26(19-44)52-36)43-18-25(40-42-43)21-12-14-24(15-13-21)51-23-10-5-2-6-11-23/h1-6,8-15,18,26-33,35-36,44-48H,7,16-17,19-20H2,(H,39,49)/t26-,27-,28-,29+,30+,31-,32-,33-,35-,36+/m1/s1
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n/an/an/a 6.70E+3n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay


J Med Chem 56: 1350-4 (2013)


Article DOI: 10.1021/jm301677r
BindingDB Entry DOI: 10.7270/Q2NK3GBS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50273581
PNG
(CHEMBL444662 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H36N2O10S/c37-15-23-27(39)25(35-31(43)21-11-9-17-5-1-3-7-19(17)13-21)29(41)33(45-23)47-34-30(42)26(28(40)24(16-38)46-34)36-32(44)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-34,37-42H,15-16H2,(H,35,43)(H,36,44)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/m1/s1
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n/an/an/a 9.60E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 0 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50273432
PNG
(Bis-[3-O-(4-methylbenzoyl)-beta-D-galactopyranosyl...)
Show SMILES Cc1ccc(cc1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc(C)cc3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O12S/c1-13-3-7-15(8-4-13)25(35)39-23-19(31)17(11-29)37-27(21(23)33)41-28-22(34)24(20(32)18(12-30)38-28)40-26(36)16-9-5-14(2)6-10-16/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/m1/s1
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n/an/an/a 1.03E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 20 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50273583
PNG
((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-met...)
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]1OC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H30O12/c1-32-24-21(35-22(31)13-8-4-6-11-5-2-3-7-12(11)13)19(30)20(15(10-26)34-24)36-23-18(29)17(28)16(27)14(9-25)33-23/h2-8,14-21,23-30H,9-10H2,1H3/t14-,15-,16+,17+,18-,19+,20-,21-,23+,24-/m1/s1
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n/an/an/a 1.40E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 0 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50273434
PNG
(Bis-(3-O-2-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-11-9-17-5-1-3-7-19(17)13-21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 1.47E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 20 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50273433
PNG
(Bis-(3-O-1-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-13-5-9-17-7-1-3-11-19(17)21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 1.68E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 20 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
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))
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))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
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n/an/an/a 2.40E+4n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay


J Med Chem 56: 1350-4 (2013)


Article DOI: 10.1021/jm301677r
BindingDB Entry DOI: 10.7270/Q2NK3GBS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-1


(Homo sapiens (human))
BDBM50273582
PNG
(CHEMBL516152 | N-((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C26H34N2O11/c1-12(31)27-19-21(33)23(17(11-30)38-25(19)36-2)39-26-22(34)18(20(32)16(10-29)37-26)28-24(35)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-23,25-26,29-30,32-34H,10-11H2,1-2H3,(H,27,31)(H,28,35)/t16-,17-,18+,19-,20+,21-,22-,23-,25-,26+/m1/s1
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n/an/an/a 2.50E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 0 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50425515
PNG
(CHEMBL2313335)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCN=[N+]=[N-])[C@@H]([C@H]2O)N2C(=O)c3ccccc3C2=O)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C37H39N7O12/c38-41-39-15-6-16-52-36-29(44-34(50)23-9-4-5-10-24(23)35(44)51)31(48)33(27(19-46)55-36)56-37-32(49)28(30(47)26(18-45)54-37)43-17-25(40-42-43)20-11-13-22(14-12-20)53-21-7-2-1-3-8-21/h1-5,7-14,17,26-33,36-37,45-49H,6,15-16,18-19H2/t26-,27-,28+,29-,30+,31-,32-,33-,36-,37+/m1/s1
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n/an/an/a 2.80E+4n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay


J Med Chem 56: 1350-4 (2013)


Article DOI: 10.1021/jm301677r
BindingDB Entry DOI: 10.7270/Q2NK3GBS
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))
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))
BDBM50273579
PNG
(CHEMBL457221 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C26H32N2O10S/c29-11-15-19(31)17(27-23(35)13-7-3-1-4-8-13)21(33)25(37-15)39-26-22(34)18(20(32)16(12-30)38-26)28-24(36)14-9-5-2-6-10-14/h1-10,15-22,25-26,29-34H,11-12H2,(H,27,35)(H,28,36)/t15-,16-,17+,18+,19+,20+,21-,22-,25+,26+/m1/s1
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n/an/an/a 3.50E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 0 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50241034
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy...)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)S(=O)(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H28O12S/c23-8-13-15(25)16(26)18(28)21(32-13)34-20-14(9-24)33-22(19(29)17(20)27)35(30,31)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-29H,8-9H2/t13-,14-,15+,16+,17-,18-,19-,20-,21+,22+/m1/s1
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n/an/an/a 4.00E+4n/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1


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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay


J Med Chem 56: 1350-4 (2013)


Article DOI: 10.1021/jm301677r
BindingDB Entry DOI: 10.7270/Q2NK3GBS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
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n/an/an/a 7.80E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 20 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-1


(Homo sapiens (human))
BDBM50425518
PNG
(CHEMBL2313338)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Oc3ccccc3)cc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C40H40N6O10S/c47-21-31-35(49)33(45-19-29(41-43-45)23-11-15-27(16-12-23)53-25-7-3-1-4-8-25)37(51)39(55-31)57-40-38(52)34(36(50)32(22-48)56-40)46-20-30(42-44-46)24-13-17-28(18-14-24)54-26-9-5-2-6-10-26/h1-20,31-40,47-52H,21-22H2/t31-,32-,33+,34+,35+,36+,37-,38-,39+,40+/m1/s1
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n/an/an/a 8.40E+4n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay


J Med Chem 56: 1350-4 (2013)


Article DOI: 10.1021/jm301677r
BindingDB Entry DOI: 10.7270/Q2NK3GBS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50273604
PNG
(CHEMBL457432 | LacNAc | N-acetyllactosamine)
Show SMILES CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1
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n/an/an/a 1.50E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 20 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50425516
PNG
(CHEMBL2313336)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCN=[N+]=[N-])[C@H](NC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](OCc2ccc(Oc3ccccc3)cc2)[C@H]1O
Show InChI InChI=1S/C35H42N4O12/c36-39-37-16-7-17-46-34-27(38-33(45)22-8-3-1-4-9-22)29(43)31(26(19-41)50-34)51-35-30(44)32(28(42)25(18-40)49-35)47-20-21-12-14-24(15-13-21)48-23-10-5-2-6-11-23/h1-6,8-15,25-32,34-35,40-44H,7,16-20H2,(H,38,45)/t25-,26-,27-,28+,29-,30-,31-,32+,34-,35+/m1/s1
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n/an/an/a 1.80E+5n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay


J Med Chem 56: 1350-4 (2013)


Article DOI: 10.1021/jm301677r
BindingDB Entry DOI: 10.7270/Q2NK3GBS
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))
BDBM50425517
PNG
(CHEMBL2313337)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCN=[N+]=[N-])[C@@H]([C@H]2O)N2C(=O)c3ccccc3C2=O)[C@H](O)[C@@H](OCc2ccc(Oc3ccccc3)cc2)[C@H]1O
Show InChI InChI=1S/C36H40N4O13/c37-39-38-15-6-16-48-35-27(40-33(46)23-9-4-5-10-24(23)34(40)47)29(44)31(26(18-42)52-35)53-36-30(45)32(28(43)25(17-41)51-36)49-19-20-11-13-22(14-12-20)50-21-7-2-1-3-8-21/h1-5,7-14,25-32,35-36,41-45H,6,15-19H2/t25-,26-,27-,28+,29-,30-,31-,32+,35-,36+/m1/s1
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n/an/an/a 2.80E+5n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay


J Med Chem 56: 1350-4 (2013)


Article DOI: 10.1021/jm301677r
BindingDB Entry DOI: 10.7270/Q2NK3GBS
More data for this
Ligand-Target Pair
Galectin-1


(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 4.20E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 20 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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))
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
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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