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BDBM50357404 CHEMBL1917311

SMILES: OC[C@H]1O[C@H](OCc2cn(nn2)-c2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=IADVFBJVFUUNFY-MRLBHPIUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50357404   
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))
BDBM50357404
PNG
(CHEMBL1917311)
Show SMILES OC[C@H]1O[C@H](OCc2cn(nn2)-c2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H18N4O8/c20-6-11-12(21)13(22)14(23)15(27-11)26-7-8-5-18(17-16-8)9-1-3-10(4-2-9)19(24)25/h1-5,11-15,20-23H,6-7H2/t11-,12-,13+,14+,15+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 397n/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