BindingDB logo
myBDB logout

null

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

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 541676   
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))
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|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
The Gal-3 assays were performed in 384 white Opti plates in three replicates at room temperature with gentle shaking at 250-300 rpmFrom the original ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D221TZ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
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|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/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-9


(Homo sapiens (Human))
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|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.28E+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-1


(Homo sapiens (Human))
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|
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.84E+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)
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|
PDB
MMDB

UniProtKB/SwissProt

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