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BDBM50005223 2-{[Acetyl-(5-heptadecyl-tetrahydro-furan-3-ylmethoxycarbonyl)-amino]-methyl}-1-ethyl-pyridinium; iodide::CHEMBL124071

SMILES: CCCCCCCCCCCCCCCCCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1

InChI Key: InChIKey=KJZDYLVVJCYDBH-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50005223   
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)
BDBM50005223
PNG
(2-{[Acetyl-(5-heptadecyl-tetrahydro-furan-3-ylmeth...)
Show SMILES CCCCCCCCCCCCCCCCCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C33H57N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-25-30(27-38-32)28-39-33(37)35(29(3)36)26-31-22-20-21-24-34(31)5-2/h20-22,24,30,32H,4-19,23,25-28H2,1-3H3/q+1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%


J Med Chem 34: 373-86 (1991)


Article DOI: 10.1021/jm00105a058
BindingDB Entry DOI: 10.7270/Q2DF6Q51
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005223
PNG
(2-{[Acetyl-(5-heptadecyl-tetrahydro-furan-3-ylmeth...)
Show SMILES CCCCCCCCCCCCCCCCCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C33H57N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-25-30(27-38-32)28-39-33(37)35(29(3)36)26-31-22-20-21-24-34(31)5-2/h20-22,24,30,32H,4-19,23,25-28H2,1-3H3/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 210n/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