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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50043294   
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM23120
PNG
(7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2
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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



MCPHS University

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins before substrate a...


Bioorg Med Chem 21: 5188-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.034
BindingDB Entry DOI: 10.7270/Q2DJ5H2V
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50438777
PNG
(CHEMBL2413160)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C26H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h7-8,10-11,18-20,22H,3-6,9,12-17,21,23H2,1-2H3,(H,27,28)/b8-7-,11-10-
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n/an/a 1.03E+4n/an/an/an/an/an/a



MCPHS University

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins before substrate a...


Bioorg Med Chem 21: 5188-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.034
BindingDB Entry DOI: 10.7270/Q2DJ5H2V
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50438780
PNG
(CHEMBL2415105)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C26H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h10-11,18-20,22H,3-9,12-17,21,23H2,1-2H3,(H,27,28)/b11-10-
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Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



MCPHS University

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins before substrate a...


Bioorg Med Chem 21: 5188-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.034
BindingDB Entry DOI: 10.7270/Q2DJ5H2V
More data for this
Ligand-Target Pair