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BDBM50394388 CHEMBL2159799

SMILES: O=C(N1CCN(C\C=C\c2ccccc2)CC1)n1nnc2ccccc12

InChI Key: InChIKey=NUFJLSDHASNMOR-RMKNXTFCSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50394388   
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))
BDBM50394388
PNG
(CHEMBL2159799)
Show SMILES O=C(N1CCN(C\C=C\c2ccccc2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C20H21N5O/c26-20(25-19-11-5-4-10-18(19)21-22-25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+
PDB
MMDB

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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50394388
PNG
(CHEMBL2159799)
Show SMILES O=C(N1CCN(C\C=C\c2ccccc2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C20H21N5O/c26-20(25-19-11-5-4-10-18(19)21-22-25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 33n/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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50394388
PNG
(CHEMBL2159799)
Show SMILES O=C(N1CCN(C\C=C\c2ccccc2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C20H21N5O/c26-20(25-19-11-5-4-10-18(19)21-22-25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/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