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BDBM50326602 CHEMBL1254599::Methyl-3-deoxy-3-(4-phenyl-1H-[1,2,3]-triazol-1-yl)-1-thio-beta-D-galactopyranoside

SMILES: CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1ccccc1

InChI Key: InChIKey=HJMZJOPXJWWZSK-FQKPHLNHSA-N

Data: 4 Kd

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 4 hits for monomerid = 50326602   
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-7


(Homo sapiens (Human))
BDBM50326602
PNG
(CHEMBL1254599 | Methyl-3-deoxy-3-(4-phenyl-1H-[1,2...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C15H19N3O4S/c1-23-15-14(21)12(13(20)11(8-19)22-15)18-7-10(16-17-18)9-5-3-2-4-6-9/h2-7,11-15,19-21H,8H2,1H3/t11-,12+,13+,14-,15+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.70E+6n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin 7 at 4 degC by competitive fluorescence polarization assay


Bioorg Med Chem 18: 5367-78 (2010)


Article DOI: 10.1016/j.bmc.2010.05.040
BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50326602
PNG
(CHEMBL1254599 | Methyl-3-deoxy-3-(4-phenyl-1H-[1,2...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C15H19N3O4S/c1-23-15-14(21)12(13(20)11(8-19)22-15)18-7-10(16-17-18)9-5-3-2-4-6-9/h2-7,11-15,19-21H,8H2,1H3/t11-,12+,13+,14-,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.50E+5n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin 3 at 20 degC by competitive fluorescence polarization assay


Bioorg Med Chem 18: 5367-78 (2010)


Article DOI: 10.1016/j.bmc.2010.05.040
BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50326602
PNG
(CHEMBL1254599 | Methyl-3-deoxy-3-(4-phenyl-1H-[1,2...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C15H19N3O4S/c1-23-15-14(21)12(13(20)11(8-19)22-15)18-7-10(16-17-18)9-5-3-2-4-6-9/h2-7,11-15,19-21H,8H2,1H3/t11-,12+,13+,14-,15+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.30E+6n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin 9 N-terminal domain at 20 degC by competitive fluorescence polarization assay


Bioorg Med Chem 18: 5367-78 (2010)


Article DOI: 10.1016/j.bmc.2010.05.040
BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50326602
PNG
(CHEMBL1254599 | Methyl-3-deoxy-3-(4-phenyl-1H-[1,2...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C15H19N3O4S/c1-23-15-14(21)12(13(20)11(8-19)22-15)18-7-10(16-17-18)9-5-3-2-4-6-9/h2-7,11-15,19-21H,8H2,1H3/t11-,12+,13+,14-,15+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>5.00E+6n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin 8 N-terminal domain at 20 degC by competitive fluorescence polarization assay


Bioorg Med Chem 18: 5367-78 (2010)


Article DOI: 10.1016/j.bmc.2010.05.040
BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
More data for this
Ligand-Target Pair