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There are 3 purchasable compounds for target: Adhesin protein fimH

Wt: 256.2
BDBM36025
Purchase
Wt: 194.1
BDBM50166886
Purchase
Wt: 270.2
BDBM50347463
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 36025,50166886,50347463   
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))
BDBM36025
PNG
(phenyl-beta-d-glucopyranoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)

More data for this
Ligand-Target Pair
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem

Patents


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)

More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50347463
PNG
(CHEMBL1170453)
Show SMILES OCC1OC(OCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 364n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 36025,50166886,50347463
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM36025
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
KEGG
PC cid
PC sid
-1.343.82-5.020.9806.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)