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BDBM50005229 2-{[Acetyl-(5-octadecyloxy-tetrahydro-furan-3-ylmethoxycarbonyl)-amino]-methyl}-1-ethyl-pyridinium; chloride::2-{[Acetyl-(5-octadecyloxy-tetrahydro-furan-3-ylmethoxycarbonyl)-amino]-methyl}-1-ethyl-pyridinium; iodide::CHEMBL290840

SMILES: CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1

InChI Key: InChIKey=AEBQYQRMRZSJQU-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50005229   
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005229
PNG
(2-{[Acetyl-(5-octadecyloxy-tetrahydro-furan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C34H59N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-39-33-26-31(28-40-33)29-41-34(38)36(30(3)37)27-32-23-20-21-24-35(32)5-2/h20-21,23-24,31,33H,4-19,22,25-29H2,1-3H3/q+1
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PC cid
PC sid
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


J Med Chem 35: 676-83 (1992)


Article DOI: 10.1021/jm00082a007
BindingDB Entry DOI: 10.7270/Q298860P
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(HUMAN)
BDBM50005229
PNG
(2-{[Acetyl-(5-octadecyloxy-tetrahydro-furan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C34H59N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-39-33-26-31(28-40-33)29-41-34(38)36(30(3)37)27-32-23-20-21-24-35(32)5-2/h20-21,23-24,31,33H,4-19,22,25-29H2,1-3H3/q+1
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Article
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]PAF receptor binding to washed human platelet membranes


Bioorg Med Chem Lett 3: 1493-1498 (1993)


Article DOI: 10.1016/S0960-894X(00)80005-0
BindingDB Entry DOI: 10.7270/Q2H132H9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005229
PNG
(2-{[Acetyl-(5-octadecyloxy-tetrahydro-furan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C34H59N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-39-33-26-31(28-40-33)29-41-34(38)36(30(3)37)27-32-23-20-21-24-35(32)5-2/h20-21,23-24,31,33H,4-19,22,25-29H2,1-3H3/q+1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


J Med Chem 35: 676-83 (1992)


Article DOI: 10.1021/jm00082a007
BindingDB Entry DOI: 10.7270/Q298860P
More data for this
Ligand-Target Pair