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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

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50581778   
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


(Homo sapiens (Human))
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|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/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-9


(Homo sapiens (Human))
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|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.71E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition in human Gal-9


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
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|
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 296n/an/an/an/an/an/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)
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|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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