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Compile Data Set for Download or QSAR

Found 2 hits of kd for monomerid = 50505627   
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
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)
BDBM50505627
PNG
(CHEMBL4450053)
Show SMILES CO[C@H]1O[C@H](CNC(=O)\C=C\c2ccc(OC)c(OC)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H25NO8/c1-24-11-6-4-10(8-12(11)25-2)5-7-14(20)19-9-13-15(21)16(22)17(23)18(26-3)27-13/h4-8,13,15-18,21-23H,9H2,1-3H3,(H,19,20)/b7-5+/t13-,15-,16+,17+,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.70E+3n/an/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa LecB


Eur J Med Chem 161: 154-178 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.036
BindingDB Entry DOI: 10.7270/Q2Z322X1
More data for this
Ligand-Target Pair
PA-I galactophilic lectin


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50505627
PNG
(CHEMBL4450053)
Show SMILES CO[C@H]1O[C@H](CNC(=O)\C=C\c2ccc(OC)c(OC)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H25NO8/c1-24-11-6-4-10(8-12(11)25-2)5-7-14(20)19-9-13-15(21)16(22)17(23)18(26-3)27-13/h4-8,13,15-18,21-23H,9H2,1-3H3,(H,19,20)/b7-5+/t13-,15-,16+,17+,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 1.10E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair