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BDBM50166886 CHEMBL195368::methyl alpha-D-mannoside

SMILES: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=HOVAGTYPODGVJG-VEIUFWFVSA-N

Data: 2 IC50

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 2 hits for monomerid = 50166886   
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
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50166886
PNG
(CHEMBL195368 | methyl alpha-D-mannoside)
Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
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KEGG

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PC sid
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Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia...


Bioorg Med Chem 19: 6454-73 (2011)


Article DOI: 10.1016/j.bmc.2011.08.057
BindingDB Entry DOI: 10.7270/Q2416XGX
More data for this
Ligand-Target Pair
Concanavalin-A


(Canavalia ensiformis)
BDBM50166886
PNG
(CHEMBL195368 | methyl alpha-D-mannoside)
Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.50E+5n/an/an/an/an/an/a



Georgia Southern University

Curated by ChEMBL


Assay Description
Inhibition of Canavalia ensiformis concanavalin A binding to yeast mannan by ELLA


Bioorg Med Chem Lett 18: 6573-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.095
BindingDB Entry DOI: 10.7270/Q2ZW1KRJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)