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Compile Data Set for Download or QSAR

Found 57 hits of ic50 for UniProtKB: P16110   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Galectin-3


(Mus musculus)
BDBM541746
PNG
(US11267811, Example A78)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Br)c(F)c2F)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r|
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n/an/a 48n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581762
PNG
(GB-0139 | GB0139 | OLITIGALTIN | Olitigaltin | TD-...)
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(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r|
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n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Mus musculus)
BDBM541728
PNG
(US11267811, Example A58)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Cl)c(F)c2F)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581785
PNG
(CHEMBL5081052)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1nccs1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 79n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541697
PNG
(US11267811, Example A27)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Br)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541639
PNG
(US11267811, Example 250)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Cl)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50594519
PNG
(CHEMBL5206873)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(Cl)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Mus musculus)
BDBM50581778
PNG
(CHEMBL5090468)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cnc(OC)nc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 149n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581772
PNG
(CHEMBL5076024)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ccccn1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 179n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541726
PNG
(US11267811, Example A56)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c3ccccc3c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541698
PNG
(US11267811, Example A28)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(Br)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581782
PNG
(CHEMBL5093414)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(n1)C(=O)OC)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 198n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581789
PNG
(CHEMBL5080440)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cncnc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(Cl)c(F)c1 |r|
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n/an/a 206n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581777
PNG
(CHEMBL5093408)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ncc(OC)cn1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
PDB
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n/an/a 207n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581783
PNG
(CHEMBL5087660)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1nccc(N)n1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 215n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581787
PNG
(CHEMBL5076553)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)C1CCOCC1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581775
PNG
(CHEMBL5087430)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cnccn1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 225n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581774
PNG
(CHEMBL5091613)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cncnc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Mus musculus)
BDBM50581773
PNG
(CHEMBL5081775)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ncccn1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 254n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581776
PNG
(CHEMBL5075458)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ccc(OC)nc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581779
PNG
(CHEMBL5092373)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ncc(F)cn1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581781
PNG
(CHEMBL5093807)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ccnc(Cl)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
PDB
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Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581762
PNG
(GB-0139 | GB0139 | OLITIGALTIN | Olitigaltin | TD-...)
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(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r|
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of moues Gal3-induced hemagglutination using mouse RBC incubated for overnight by hemagglutination assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Mus musculus)
BDBM50581784
PNG
(CHEMBL5074202)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1nccc(NC(C)=O)n1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581771
PNG
(CHEMBL5081635)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(NC(C)=O)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 327n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581764
PNG
(CHEMBL5091374)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ccccc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581769
PNG
(CHEMBL5093100)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(O)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541676
PNG
(US11267811, Example A6)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r|
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n/an/a 472n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581780
PNG
(CHEMBL5069594)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cnc(nc1)C(F)(F)F)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 493n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581770
PNG
(CHEMBL5086496)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(N)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 538n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541721
PNG
(US11267811, Example A51)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(Cl)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r|
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n/an/a 560n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581790
PNG
(CHEMBL5094706)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cncnc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1ccc(Br)c(F)c1 |r|
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n/an/a 587n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541474
PNG
(US11267811, Example 68)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)ccc1Br |r|
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n/an/a 634n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541468
PNG
(US11267811, Example 62)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)ccc1C |r|
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n/an/a 655n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581786
PNG
(CHEMBL5080579)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)C1CCCCC1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 739n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541464
PNG
(US11267811, Example 58)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)ccc1Cl |r|
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n/an/a 1.16E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581774
PNG
(CHEMBL5091613)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cncnc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of moues Gal3-induced hemagglutination using mouse RBC incubated for overnight by hemagglutination assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Mus musculus)
BDBM541466
PNG
(US11267811, Example 60)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)ccc1F |r|
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n/an/a 1.45E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581788
PNG
(CHEMBL5091691)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cccc(F)c1 |r|
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n/an/a 1.55E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581768
PNG
(CHEMBL5075159)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(OC(F)F)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50594515
PNG
(CHEMBL5183613)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1)c1nncn1-c1cccc(Cl)c1 |r|
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581765
PNG
(CHEMBL5085357)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 1.87E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541467
PNG
(US11267811, Example 61)
Show SMILES COc1ccc(Cl)cc1-n1nc(C)nc1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 1.92E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581767
PNG
(CHEMBL5075373)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(c1)C(F)F)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541689
PNG
(US11267811, Example A19)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)cc(Cl)c1 |r|
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n/an/a 2.06E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581769
PNG
(CHEMBL5093100)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(O)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 2.08E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of moues Gal3-induced hemagglutination using mouse RBC incubated for overnight by hemagglutination assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581765
PNG
(CHEMBL5085357)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 2.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of moues Gal3-induced hemagglutination using mouse RBC incubated for overnight by hemagglutination assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50581766
PNG
(CHEMBL5082395)
Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(Cl)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
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n/an/a 2.68E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02001
BindingDB Entry DOI: 10.7270/Q23X8BJ6
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM541688
PNG
(US11267811, Example A18)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1ccc(Cl)c(Cl)c1 |r|
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n/an/a 3.21E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
Galectin-3


(Mus musculus)
BDBM50594517
PNG
(CHEMBL5182184)
Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cccc(Cl)c1 |r|
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n/an/a 3.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00517
BindingDB Entry DOI: 10.7270/Q2DR30HS
More data for this
Ligand-Target Pair
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