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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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Compile Data Set for Download or QSAR
Found
71
hits Enz. Inhib. hit(s) with all data for entry = 50014997
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Galectin-3
(Homo sapiens (Human))
BDBM50581785
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581762
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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 Structure (crystal)
Galectin-3
(Homo sapiens (Human))
BDBM50581778
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
12
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581782
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
17
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581775
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
18
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581772
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
19
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581779
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
19
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581774
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
19
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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 Structure (crystal)
Galectin-3
(Homo sapiens (Human))
BDBM50581783
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581773
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
23
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581777
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
23
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581787
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
23
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581776
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
24
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581784
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
24
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581771
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
26
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581770
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
31
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581789
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
32
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581781
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
34
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581769
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
36
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581764
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
42
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581780
(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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
46
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581786
(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|
Show InChI
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UniChem
Article
PubMed
n/a
n/a
54
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581774
(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|
Show InChI
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PDB
Article
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n/a
n/a
64
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human Gal3-induced chemotaxis using human monocyte incubated for 4 hrs by calcein-AM dye based 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 Structure (crystal)
Galectin-3
(Mus musculus)
BDBM50581762
(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|
Show InChI
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PC cid
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PDB
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PubMed
n/a
n/a
67
n/a
n/a
n/a
n/a
n/a
n/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 Structure (crystal)
Galectin-3
(Mus musculus)
BDBM50581785
(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|
Show InChI
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UniChem
Article
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n/a
n/a
79
n/a
n/a
n/a
n/a
n/a
n/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
(Homo sapiens (Human))
BDBM50581762
(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|
Show InChI
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human Gal3-induced chemotaxis using human monocyte incubated for 4 hrs by calcein-AM dye based 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 Structure (crystal)
Galectin-3
(Homo sapiens (Human))
BDBM50581790
(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|
Show InChI
PDB
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PC sid
UniChem
Article
PubMed
n/a
n/a
108
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581765
(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|
Show InChI
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
133
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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)
BDBM50581778
(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|
Show InChI
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
149
n/a
n/a
n/a
n/a
n/a
n/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
(Homo sapiens (Human))
BDBM50581767
(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|
Show InChI
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KEGG
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
151
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(Homo sapiens (Human))
BDBM50581768
(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|
Show InChI
PDB
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KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Article
PubMed
n/a
n/a
158
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(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|
Show InChI
PDB
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B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
179
n/a
n/a
n/a
n/a
n/a
n/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)
BDBM50581782
(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|
Show InChI
PDB
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B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
198
n/a
n/a
n/a
n/a
n/a
n/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
(Homo sapiens (Human))
BDBM50581788
(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|
Show InChI
PDB
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KEGG
UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
205
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(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|
Show InChI
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
206
n/a
n/a
n/a
n/a
n/a
n/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
(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|
Show InChI
PDB
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B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
207
n/a
n/a
n/a
n/a
n/a
n/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
(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|
Show InChI
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
215
n/a
n/a
n/a
n/a
n/a
n/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
(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|
Show InChI
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
219
n/a
n/a
n/a
n/a
n/a
n/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)
BDBM50581775
(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|
Show InChI
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
225
n/a
n/a
n/a
n/a
n/a
n/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
(Homo sapiens (Human))
BDBM50581766
(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|
Show InChI
PDB
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KEGG
UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
228
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
(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|
Show InChI
PDB
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PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
229
n/a
n/a
n/a
n/a
n/a
n/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 Structure (crystal)
Galectin-3
(Mus musculus)
BDBM50581773
(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|
Show InChI
PDB
MMDB
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
254
n/a
n/a
n/a
n/a
n/a
n/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
(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|
Show InChI
PDB
MMDB
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B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
265
n/a
n/a
n/a
n/a
n/a
n/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)
BDBM50581779
(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|
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
277
n/a
n/a
n/a
n/a
n/a
n/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-1
(Homo sapiens (Human))
BDBM50581778
(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|
Show InChI
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
296
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition in human Gal-1
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
(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|
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
297
n/a
n/a
n/a
n/a
n/a
n/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)
BDBM50581784
(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|
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
300
n/a
n/a
n/a
n/a
n/a
n/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)
BDBM50581762
(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|
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
300
n/a
n/a
n/a
n/a
n/a
n/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 Structure (crystal)
Galectin-3
(Mus musculus)
BDBM50581771
(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|
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
327
n/a
n/a
n/a
n/a
n/a
n/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
(Homo sapiens (Human))
BDBM50581763
(CHEMBL5093366)
Show SMILES
[H][C@]1(COC[C@H](N=[N+]=[N-])[C@H]1O)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|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
352
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of biotin-asialofetuin binding to human 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
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