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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'meneyrol' and Initial = 'v'   
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 acetylhydrolase


(Homo sapiens (Human))
BDBM50125265
PNG
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
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n/an/a<0.100n/an/an/an/an/an/a



Universit£ de La R£union

Curated by ChEMBL


Assay Description
Inhibition of Lp-PLA2 in human plasma LDL fractions using 2-thio platelet-activating factor as substrate by TMB dye based spectrophotometry


Bioorg Med Chem Lett 28: 787-792 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.052
BindingDB Entry DOI: 10.7270/Q2GB26N5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50125265
PNG
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
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n/an/a 0.25n/an/an/an/an/an/a



Universit£ de La R£union

Curated by ChEMBL


Assay Description
Inhibition of human Lp-PLA2


Bioorg Med Chem Lett 28: 787-792 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.052
BindingDB Entry DOI: 10.7270/Q2GB26N5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50454544
PNG
(CHEMBL4208988)
Show SMILES CC(C)(C)OC(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C20H23FN2O3S/c1-20(2,3)26-17(24)11-23-16-6-4-5-15(16)18(25)22-19(23)27-12-13-7-9-14(21)10-8-13/h7-10H,4-6,11-12H2,1-3H3
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n/an/a 52n/an/an/an/an/an/a



Universit£ de La R£union

Curated by ChEMBL


Assay Description
Inhibition of Lp-PLA2 in human plasma LDL fractions using 2-thio platelet-activating factor as substrate by TMB dye based spectrophotometry


Bioorg Med Chem Lett 28: 787-792 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.052
BindingDB Entry DOI: 10.7270/Q2GB26N5
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50454545
PNG
(CHEMBL4211451)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)COc1nc(SCc2ccc(F)cc2)nc2CCCc12
Show InChI InChI=1S/C36H38F4N4O2S/c1-3-43(4-2)20-21-44(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-46-34-31-6-5-7-32(31)41-35(42-34)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Universit£ de La R£union

Curated by ChEMBL


Assay Description
Inhibition of Lp-PLA2 in human plasma LDL fractions using 2-thio platelet-activating factor as substrate by TMB dye based spectrophotometry


Bioorg Med Chem Lett 28: 787-792 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.052
BindingDB Entry DOI: 10.7270/Q2GB26N5
More data for this
Ligand-Target Pair