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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 = 'BDBM50357409'   
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))
BDBM50357409
PNG
(CHEMBL1917306)
Show SMILES OC[C@H]1O[C@H](OCc2cn(Cc3ccccc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C16H21N3O6/c20-8-12-13(21)14(22)15(23)16(25-12)24-9-11-7-19(18-17-11)6-10-4-2-1-3-5-10/h1-5,7,12-16,20-23H,6,8-9H2/t12-,13-,14+,15+,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 667n/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