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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50157120   
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 [30-579]


(Rattus norvegicus (rat))
BDBM50157120
PNG
((9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octade...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(29)25-28-27-24(30-25)22-19-17-18-21-26-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against purified rat Fatty-acid amide hydrolase (FAAH) expressed in Escherichia coli


Bioorg Med Chem Lett 15: 103-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.025
BindingDB Entry DOI: 10.7270/Q2MC8ZGW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50157120
PNG
((9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octade...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(29)25-28-27-24(30-25)22-19-17-18-21-26-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50157120
PNG
((9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octade...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(29)25-28-27-24(30-25)22-19-17-18-21-26-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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3n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM50157120
PNG
((9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octade...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(29)25-28-27-24(30-25)22-19-17-18-21-26-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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KEGG

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3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)