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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Anandamide amidohydrolase' and Ligand = 'BDBM50161511'   
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
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161511
PNG
(1-(5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-o...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C19H20N2O3/c22-16(18-20-21-19(24-18)17-13-8-14-23-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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Article
PubMed
0.560n/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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50161511
PNG
(1-(5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-o...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C19H20N2O3/c22-16(18-20-21-19(24-18)17-13-8-14-23-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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UniChem

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Article
PubMed
0.560n/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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50161511
PNG
(1-(5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-o...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C19H20N2O3/c22-16(18-20-21-19(24-18)17-13-8-14-23-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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Article
PubMed
0.560n/an/an/an/an/an/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50161511
PNG
(1-(5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-o...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C19H20N2O3/c22-16(18-20-21-19(24-18)17-13-8-14-23-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1n/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