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BDBM50326608 CHEMBL1254760::Methyl-3-deoxy-3-(4-(3-pyridyl)-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)-c1cccnc1

InChI Key: InChIKey=AFHDRFIWILRWQN-HTOAHKCRSA-N

Data: 3 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 3 hits for monomerid = 50326608   
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-8


(Homo sapiens (Human))
BDBM50326608
PNG
(CHEMBL1254760 | Methyl-3-deoxy-3-(4-(3-pyridyl)-1H...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1cccnc1 |r|
Show InChI InChI=1S/C14H18N4O4S/c1-23-14-13(21)11(12(20)10(7-19)22-14)18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12+,13-,14+/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 6.70E+5n/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
Galectin-3


(Homo sapiens (Human))
BDBM50326608
PNG
(CHEMBL1254760 | Methyl-3-deoxy-3-(4-(3-pyridyl)-1H...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1cccnc1 |r|
Show InChI InChI=1S/C14H18N4O4S/c1-23-14-13(21)11(12(20)10(7-19)22-14)18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12+,13-,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/a 1.90E+6n/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))
BDBM50326608
PNG
(CHEMBL1254760 | Methyl-3-deoxy-3-(4-(3-pyridyl)-1H...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1cccnc1 |r|
Show InChI InChI=1S/C14H18N4O4S/c1-23-14-13(21)11(12(20)10(7-19)22-14)18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12+,13-,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/a 1.60E+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