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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Platelet-activating factor receptor' and Ligand = 'BDBM50284416'   
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)
BDBM50284416
PNG
(2-{[Acetyl-(3-octadecylcarbamoyloxymethyl-cyclobut...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 |wU:23.22,wD:25.25,(-6.84,-45.17,;-6.14,-43.8,;-4.61,-43.71,;-3.91,-42.33,;-2.38,-42.25,;-1.69,-40.87,;-.16,-40.79,;.54,-39.42,;2.07,-39.33,;2.77,-37.95,;4.29,-37.87,;4.99,-36.49,;6.53,-36.41,;7.21,-35.04,;8.76,-34.95,;9.44,-33.57,;10.98,-33.49,;11.68,-32.11,;13.22,-32.03,;13.91,-30.66,;13.05,-29.38,;15.45,-30.57,;16.28,-31.86,;17.82,-31.78,;18.83,-30.62,;20,-31.66,;21.53,-31.57,;22.23,-30.2,;23.76,-30.11,;24.6,-31.4,;24.45,-28.75,;25.98,-28.66,;26.82,-29.94,;26.12,-31.31,;26.96,-32.59,;28.5,-32.52,;29.2,-31.15,;28.36,-29.85,;29.05,-28.48,;30.59,-28.4,;23.61,-27.45,;22.07,-27.54,;24.31,-26.08,;18.97,-32.8,)|
Show InChI InChI=1S/C36H61N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-37-35(41)43-29-32-26-33(27-32)30-44-36(42)39(31(3)40)28-34-23-20-22-25-38(34)5-2/h20,22-23,25,32-33H,4-19,21,24,26-30H2,1-3H3/p+1/t32-,33-
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PC cid
PC sid
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Article
4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284416
PNG
(2-{[Acetyl-(3-octadecylcarbamoyloxymethyl-cyclobut...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 |wU:23.22,wD:25.25,(-6.84,-45.17,;-6.14,-43.8,;-4.61,-43.71,;-3.91,-42.33,;-2.38,-42.25,;-1.69,-40.87,;-.16,-40.79,;.54,-39.42,;2.07,-39.33,;2.77,-37.95,;4.29,-37.87,;4.99,-36.49,;6.53,-36.41,;7.21,-35.04,;8.76,-34.95,;9.44,-33.57,;10.98,-33.49,;11.68,-32.11,;13.22,-32.03,;13.91,-30.66,;13.05,-29.38,;15.45,-30.57,;16.28,-31.86,;17.82,-31.78,;18.83,-30.62,;20,-31.66,;21.53,-31.57,;22.23,-30.2,;23.76,-30.11,;24.6,-31.4,;24.45,-28.75,;25.98,-28.66,;26.82,-29.94,;26.12,-31.31,;26.96,-32.59,;28.5,-32.52,;29.2,-31.15,;28.36,-29.85,;29.05,-28.48,;30.59,-28.4,;23.61,-27.45,;22.07,-27.54,;24.31,-26.08,;18.97,-32.8,)|
Show InChI InChI=1S/C36H61N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-37-35(41)43-29-32-26-33(27-32)30-44-36(42)39(31(3)40)28-34-23-20-22-25-38(34)5-2/h20,22-23,25,32-33H,4-19,21,24,26-30H2,1-3H3/p+1/t32-,33-
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a 56n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF-induced aggregation of rabbit platelets


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair