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BDBM50437227 CHEMBL2402927::US9187413, 1b (URB937)

SMILES: NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O

InChI Key: InChIKey=CMEQHOXCIGFZNJ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50437227   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50437227
PNG
(CHEMBL2402927 | US9187413, 1b (URB937))
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
PDB
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50437227
PNG
(CHEMBL2402927 | US9187413, 1b (URB937))
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
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PC sid
UniChem

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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat brain membranes using [3H]-anandamide as substrate preincubated for 10 mins followed by substrate addition measured ...


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50437227
PNG
(CHEMBL2402927 | US9187413, 1b (URB937))
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
PDB
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UniProtKB/SwissProt

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CHEMBL
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US Patent
n/an/a 26.8n/an/an/an/an/an/a



The Regents of the University of California; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino

US Patent


Assay Description
The assays for compounds described herein are amenable to high throughput screening. Preferred assays thus detect binding of the inhibitor to FAAH or...


US Patent US9187413 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VD1
More data for this
Ligand-Target Pair