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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Fucose-binding lectin PA-IIL' and Ligand = 'BDBM50166886'   
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)
BDBM50166886
PNG
(CHEMBL195368 | methyl alpha-D-mannoside)
Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t...


J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)
BDBM50166886
PNG
(CHEMBL195368 | methyl alpha-D-mannoside)
Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.68E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01214
BindingDB Entry DOI: 10.7270/Q2T72NDG
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)
BDBM50166886
PNG
(CHEMBL195368 | methyl alpha-D-mannoside)
Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.04E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01214
BindingDB Entry DOI: 10.7270/Q2T72NDG
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)
BDBM50166886
PNG
(CHEMBL195368 | methyl alpha-D-mannoside)
Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.57E+5n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 LecB after 6 hrs by fluorescence polarization assay


J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)
BDBM50166886
PNG
(CHEMBL195368 | methyl alpha-D-mannoside)
Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.57E+5n/an/an/an/an/an/a



CNRS-Universit£ de Picardie Jules Verne

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LecB by fluorescence polarization assay


J Med Chem 62: 7722-7738 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00481
BindingDB Entry DOI: 10.7270/Q2DB8554
More data for this
Ligand-Target Pair