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Compile Data Set for Download or QSAR

Found 69 hits of kd data for polymerid = 50004686   
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-4


(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 |r|
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 58n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-4 component 2 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-4


(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 |r|
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 85n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-4 component 2 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-4


(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 |r|
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 85n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-4 component 2 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-4


(Homo sapiens (Human))
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 92n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 130n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(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 |r|
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 136n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-4 component 1 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-4


(Homo sapiens (Human))
BDBM50591131
PNG
(CHEMBL5193805)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(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 |r|
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 304n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-4 component 1 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-4


(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 |r|
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 304n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-4 component 1 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-4


(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 |r|
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 780n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-4 component 2 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-4


(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 |r|
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 1.26E+3n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-4 component 1 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-4


(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 |r|
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 1.26E+3n/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Binding affinity to human galectin-4 component 1 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-4


(Homo sapiens (Human))
BDBM50591132
PNG
(CHEMBL5182222)
Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 1.82E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50591130
PNG
(CHEMBL5181579)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 2.90E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50591131
PNG
(CHEMBL5193805)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/an/a 3.22E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605162
PNG
(CHEMBL5189715)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+]([O-])=O |r|
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n/an/an/a 6.50E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605161
PNG
(CHEMBL5195652)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+]([O-])=O |r|
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n/an/an/a 1.80E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605163
PNG
(CHEMBL5193025)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |r|
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n/an/an/a 4.00E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50533580
PNG
(CHEMBL4446622)
Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r|
Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/t21-,22-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1
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n/an/an/a 4.10E+4n/an/an/an/an/a



Institute of Science Education and Research-Kolkata (IISER) Kolkata

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant human galectin-4 N-terminal after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-...


J Med Chem 59: 8141-7 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00957
BindingDB Entry DOI: 10.7270/Q2X63RF4
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605165
PNG
(CHEMBL5175908)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+]([O-])=O |r|
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n/an/an/a 4.80E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50574702
PNG
(CHEMBL4872829)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](OCc2nc3ccc(cc3[nH]2)C(O)=O)[C@H]1O |r|
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n/an/an/a 7.80E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galactin-4 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113664
BindingDB Entry DOI: 10.7270/Q2DB85ND
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50574701
PNG
(CHEMBL4858277)
Show SMILES Cn1c(CO[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)nc2ccc(cc12)C(O)=O |r|
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n/an/an/a 1.20E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galactin-4 C terminal domain assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113664
BindingDB Entry DOI: 10.7270/Q2DB85ND
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50574701
PNG
(CHEMBL4858277)
Show SMILES Cn1c(CO[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)nc2ccc(cc12)C(O)=O |r|
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n/an/an/a 1.30E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galactin-4 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113664
BindingDB Entry DOI: 10.7270/Q2DB85ND
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50533579
PNG
(CHEMBL4519227)
Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccc(OC)cc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccc(OC)cc3oc2=O)[C@H]1O |r|
Show InChI InChI=1S/C34H38O16S/c1-43-19-5-3-15-7-17(31(41)47-21(15)9-19)13-45-29-25(37)23(11-35)49-33(27(29)39)51-34-28(40)30(26(38)24(12-36)50-34)46-14-18-8-16-4-6-20(44-2)10-22(16)48-32(18)42/h3-10,23-30,33-40H,11-14H2,1-2H3/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 1.40E+5n/an/an/an/an/a



Institute of Science Education and Research-Kolkata (IISER) Kolkata

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant human galectin-4 N-terminal after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-...


J Med Chem 59: 8141-7 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00957
BindingDB Entry DOI: 10.7270/Q2X63RF4
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50574702
PNG
(CHEMBL4872829)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](OCc2nc3ccc(cc3[nH]2)C(O)=O)[C@H]1O |r|
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n/an/an/a 1.60E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galactin-4 C terminal domain assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113664
BindingDB Entry DOI: 10.7270/Q2DB85ND
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50533580
PNG
(CHEMBL4446622)
Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r|
Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/t21-,22-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1
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n/an/an/a 2.10E+5n/an/an/an/an/a



Institute of Science Education and Research-Kolkata (IISER) Kolkata

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant human galectin-4 C-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbonyl)...


J Med Chem 59: 8141-7 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00957
BindingDB Entry DOI: 10.7270/Q2X63RF4
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605161
PNG
(CHEMBL5195652)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+]([O-])=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(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 |r|
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 4.10E+5n/an/an/an/an/a



Institute of Science Education and Research-Kolkata (IISER) Kolkata

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant human galectin-4 N-terminal after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-...


J Med Chem 59: 8141-7 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00957
BindingDB Entry DOI: 10.7270/Q2X63RF4
More data for this
Ligand-Target Pair
Galectin-4


(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 |r|
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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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605165
PNG
(CHEMBL5175908)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+]([O-])=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50533579
PNG
(CHEMBL4519227)
Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccc(OC)cc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccc(OC)cc3oc2=O)[C@H]1O |r|
Show InChI InChI=1S/C34H38O16S/c1-43-19-5-3-15-7-17(31(41)47-21(15)9-19)13-45-29-25(37)23(11-35)49-33(27(29)39)51-34-28(40)30(26(38)24(12-36)50-34)46-14-18-8-16-4-6-20(44-2)10-22(16)48-32(18)42/h3-10,23-30,33-40H,11-14H2,1-2H3/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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Institute of Science Education and Research-Kolkata (IISER) Kolkata

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant human galectin-4 C-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbonyl)...


J Med Chem 59: 8141-7 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00957
BindingDB Entry DOI: 10.7270/Q2X63RF4
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605164
PNG
(CHEMBL5202629)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc(c1)[N+]([O-])=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605162
PNG
(CHEMBL5189715)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+]([O-])=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


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



Institute of Science Education and Research-Kolkata (IISER) Kolkata

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant human galectin-4 C-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbonyl)...


J Med Chem 59: 8141-7 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00957
BindingDB Entry DOI: 10.7270/Q2X63RF4
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50572244
PNG
(CHEMBL4862920)
Show SMILES [H][C@]12OCc3cc(Cc4ccc(F)cc4)cc(O[C@H](CO)[C@@H]1O)c23 |r|
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n/an/an/a>1.00E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galectin-4 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00371
BindingDB Entry DOI: 10.7270/Q2RB78D7
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50509538
PNG
(CHEMBL4513295)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2cccc(C)c2)[C@H]1O |r|
Show InChI InChI=1S/C14H21NO5/c1-8-4-3-5-9(6-8)15-11-12(17)10(7-16)20-14(19-2)13(11)18/h3-6,10-18H,7H2,1-2H3/t10-,11+,12+,13-,14-/m1/s1
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n/an/an/a 1.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 4 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-4


(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 |r|
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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Article
PubMed
n/an/an/a 1.00E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galectin-4 C terminal domain assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00371
BindingDB Entry DOI: 10.7270/Q2RB78D7
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50509528
PNG
(CHEMBL4474507)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2ccc(OC)cc2)[C@H]1O |r|
Show InChI InChI=1S/C14H21NO6/c1-19-9-5-3-8(4-6-9)15-11-12(17)10(7-16)21-14(20-2)13(11)18/h3-6,10-18H,7H2,1-2H3/t10-,11+,12+,13-,14-/m1/s1
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Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 4 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50509528
PNG
(CHEMBL4474507)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2ccc(OC)cc2)[C@H]1O |r|
Show InChI InChI=1S/C14H21NO6/c1-19-9-5-3-8(4-6-9)15-11-12(17)10(7-16)21-14(20-2)13(11)18/h3-6,10-18H,7H2,1-2H3/t10-,11+,12+,13-,14-/m1/s1
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n/an/an/a 1.30E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 4 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50572253
PNG
(CHEMBL4873509)
Show SMILES COC(=O)c1ccc2ccc(CO[C@@H]3C=CO[C@H](CO)[C@@H]3O)nc2c1 |r,c:14|
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n/an/an/a 1.30E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galectin-4 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00371
BindingDB Entry DOI: 10.7270/Q2RB78D7
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50509527
PNG
(CHEMBL4570596)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2cccc(Cl)c2)[C@H]1O |r|
Show InChI InChI=1S/C13H18ClNO5/c1-19-13-12(18)10(11(17)9(6-16)20-13)15-8-4-2-3-7(14)5-8/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12-,13-/m1/s1
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n/an/an/a 1.40E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 4 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50572248
PNG
(CHEMBL4850222)
Show SMILES Cn1c(CO[C@@H]2C=CO[C@H](CO)[C@@H]2O)nc2ccc(cc12)C(O)=O |r,c:6|
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Assay Description
Binding affinity to human galectin-4 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00371
BindingDB Entry DOI: 10.7270/Q2RB78D7
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605163
PNG
(CHEMBL5193025)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50572251
PNG
(CHEMBL4860539)
Show SMILES OC[C@H]1OC=C[C@@H](OCc2nc3ccc(cc3[nH]2)C(O)=O)[C@H]1O |r,c:4|
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n/an/an/a 1.40E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galectin-4 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00371
BindingDB Entry DOI: 10.7270/Q2RB78D7
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50605164
PNG
(CHEMBL5202629)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc(c1)[N+]([O-])=O |r|
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n/an/an/a 1.40E+6n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(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 |r|
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 1.45E+6n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01296
BindingDB Entry DOI: 10.7270/Q2FX7FKM
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50572246
PNG
(CHEMBL4846264)
Show SMILES COC(=O)c1ccc2nc(CO[C@@H]3C=CO[C@H](CO)[C@@H]3O)n(C)c2c1 |r,c:13|
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n/an/an/a 1.70E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galectin-4 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00371
BindingDB Entry DOI: 10.7270/Q2RB78D7
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50572248
PNG
(CHEMBL4850222)
Show SMILES Cn1c(CO[C@@H]2C=CO[C@H](CO)[C@@H]2O)nc2ccc(cc12)C(O)=O |r,c:6|
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n/an/an/a 1.70E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galectin-4 C terminal domain assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00371
BindingDB Entry DOI: 10.7270/Q2RB78D7
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50509527
PNG
(CHEMBL4570596)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2cccc(Cl)c2)[C@H]1O |r|
Show InChI InChI=1S/C13H18ClNO5/c1-19-13-12(18)10(11(17)9(6-16)20-13)15-8-4-2-3-7(14)5-8/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12-,13-/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 at recombinant human N-terminal Galectin 4 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-4


(Homo sapiens (Human))
BDBM50509539
PNG
(CHEMBL4445903)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2ccc(F)c(F)c2)[C@H]1O |r|
Show InChI InChI=1S/C13H17F2NO5/c1-20-13-12(19)10(11(18)9(5-17)21-13)16-6-2-3-7(14)8(15)4-6/h2-4,9-13,16-19H,5H2,1H3/t9-,10+,11+,12-,13-/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
antibodypedia
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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 at recombinant human C-terminal Galectin 4 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
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