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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Platelet activating factor receptor' and Ligand = 'BDBM50005225'   
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005225
PNG
(2-{[Acetyl-(5-hexadecyloxymethyl-tetrahydro-furan-...)
Show SMILES CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C33H57N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-28-32-24-30(26-39-32)27-40-33(37)35(29(3)36)25-31-21-18-19-22-34(31)5-2/h18-19,21-22,30,32H,4-17,20,23-28H2,1-3H3/q+1
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PC cid
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Article
PubMed
n/an/a 6.80n/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)
BDBM50005225
PNG
(2-{[Acetyl-(5-hexadecyloxymethyl-tetrahydro-furan-...)
Show SMILES CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C33H57N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-28-32-24-30(26-39-32)27-40-33(37)35(29(3)36)25-31-21-18-19-22-34(31)5-2/h18-19,21-22,30,32H,4-17,20,23-28H2,1-3H3/q+1
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Article
PubMed
n/an/a 8.60n/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)
BDBM50005225
PNG
(2-{[Acetyl-(5-hexadecyloxymethyl-tetrahydro-furan-...)
Show SMILES CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C33H57N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-28-32-24-30(26-39-32)27-40-33(37)35(29(3)36)25-31-21-18-19-22-34(31)5-2/h18-19,21-22,30,32H,4-17,20,23-28H2,1-3H3/q+1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60n/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