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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fatty-acid amide hydrolase 1 [30-579]' and Ligand = 'BDBM50386426'   
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))
BDBM50386426
PNG
(CHEMBL2047531)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.71E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386426
PNG
(CHEMBL2047531)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.31E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair