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BDBM50197175 CHEMBL3927866

SMILES: [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1)-c1cccc(c1)C(=O)NC

InChI Key: InChIKey=KOOGCRKRQNOZBW-GPXHXLFHNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50197175   
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
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197175
PNG
(CHEMBL3927866)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)[C@@H](O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1/C21H25NO7/c1-22-21(28)14-4-2-3-13(9-14)11-5-7-12(8-6-11)16(24)20-19(27)18(26)17(25)15(10-23)29-20/h2-9,15-20,23-27H,10H2,1H3,(H,22,28)/t15-,16-,17-,18+,19+,20-/s2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair