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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'PA-I galactophilic lectin' and Ligand = 'BDBM50034083'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50034083
PNG
(CHEMBL3358629)
Show SMILES OC[C@H]1O[C@@H](OCCOCCOCCn2cc(CO)nn2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H27N3O9/c19-8-10-7-18(17-16-10)1-2-24-3-4-25-5-6-26-15-14(23)13(22)12(21)11(9-20)27-15/h7,11-15,19-23H,1-6,8-9H2/t11-,12+,13+,14-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.50E+5n/an/an/an/an/a



Universit£ Lyon 1& VetAgro Sup

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa LecA by ITC method


J Med Chem 57: 10275-89 (2014)


Article DOI: 10.1021/jm500038p
BindingDB Entry DOI: 10.7270/Q2251KSP
More data for this
Ligand-Target Pair