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BDBM50394369 CHEMBL2159781

SMILES: O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)n1nnc2ccccc12

InChI Key: InChIKey=XOZPAZLUHXWSDR-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50394369   
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
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50394369
PNG
(CHEMBL2159781)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)n1nnc2ccccc12
Show InChI InChI=1S/C24H23N5O/c30-24(29-22-14-8-7-13-21(22)25-26-29)28-17-15-27(16-18-28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
75.7n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Irreversible inhibition of human MAGL using p-nitrophenylpropionate as substrate


Bioorg Med Chem 20: 6260-75 (2012)


Article DOI: 10.1016/j.bmc.2012.09.011
BindingDB Entry DOI: 10.7270/Q2W37XDX
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50394369
PNG
(CHEMBL2159781)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)n1nnc2ccccc12
Show InChI InChI=1S/C24H23N5O/c30-24(29-22-14-8-7-13-21(22)25-26-29)28-17-15-27(16-18-28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 562n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH assessed as [3H]-AEA hydrolysis preincubated for 30 mins before [3H]-2-OG addition measured after 10 mins by liq...


Bioorg Med Chem 20: 6260-75 (2012)


Article DOI: 10.1016/j.bmc.2012.09.011
BindingDB Entry DOI: 10.7270/Q2W37XDX
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50394369
PNG
(CHEMBL2159781)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)n1nnc2ccccc12
Show InChI InChI=1S/C24H23N5O/c30-24(29-22-14-8-7-13-21(22)25-26-29)28-17-15-27(16-18-28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.540n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human MAGL assessed as [3H]-2-OG hydrolysis preincubated for 30 mins before [3H]-2-OG addition measured after 10 mins by liquid scintil...


Bioorg Med Chem 20: 6260-75 (2012)


Article DOI: 10.1016/j.bmc.2012.09.011
BindingDB Entry DOI: 10.7270/Q2W37XDX
More data for this
Ligand-Target Pair