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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adhesin protein fimH' and Ligand = 'BDBM50357402'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50357402
PNG
(CHEMBL1917469)
Show SMILES OC[C@H]1O[C@H](OCc2cn(nn2)-c2ccc(F)cc2)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H18FN3O6/c16-8-1-3-10(4-2-8)19-5-9(17-18-19)7-24-15-14(23)13(22)12(21)11(6-20)25-15/h1-5,11-15,20-23H,6-7H2/t11-,12-,13+,14+,15+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 778n/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