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BDBM50326584 CHEMBL1254847::Methyl-3-(4-methylaminocarbonyl-1H-[1,2,3]-triazol-1-yl)-3-deoxy-1-thio-beta-D-galactopyranoside

SMILES: CNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O

InChI Key: InChIKey=PIWQODSKVOVSJH-CFWFWGPINA-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 = 50326584   
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))
BDBM50326584
PNG
(CHEMBL1254847 | Methyl-3-(4-methylaminocarbonyl-1H...)
Show SMILES CNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O
Show InChI InChI=1/C11H18N4O5S/c1-12-10(19)5-3-15(14-13-5)7-8(17)6(4-16)20-11(21-2)9(7)18/h3,6-9,11,16-18H,4H2,1-2H3,(H,12,19)/t6-,7+,8+,9-,11+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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
Galectin-3


(Homo sapiens (Human))
BDBM50326584
PNG
(CHEMBL1254847 | Methyl-3-(4-methylaminocarbonyl-1H...)
Show SMILES CNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O
Show InChI InChI=1/C11H18N4O5S/c1-12-10(19)5-3-15(14-13-5)7-8(17)6(4-16)20-11(21-2)9(7)18/h3,6-9,11,16-18H,4H2,1-2H3,(H,12,19)/t6-,7+,8+,9-,11+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.30E+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))
BDBM50326584
PNG
(CHEMBL1254847 | Methyl-3-(4-methylaminocarbonyl-1H...)
Show SMILES CNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O
Show InChI InChI=1/C11H18N4O5S/c1-12-10(19)5-3-15(14-13-5)7-8(17)6(4-16)20-11(21-2)9(7)18/h3,6-9,11,16-18H,4H2,1-2H3,(H,12,19)/t6-,7+,8+,9-,11+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.10E+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