BindingDB logo
myBDB logout

BDBM50357400 CHEMBL1917484

SMILES: OC[C@H]1O[C@H](Cn2cc(nn2)-c2ccc(cc2)C(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=KWBFSKLNZPGOPH-KJWHEZOQSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50357400   
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))
BDBM50357400
PNG
(CHEMBL1917484)
Show SMILES OC[C@H]1O[C@H](Cn2cc(nn2)-c2ccc(cc2)C(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C16H18F3N3O5/c17-16(18,19)9-3-1-8(2-4-9)10-5-22(21-20-10)6-11-13(24)15(26)14(25)12(7-23)27-11/h1-5,11-15,23-26H,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 194n/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