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BDBM50438782 CHEMBL2413162

SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1

InChI Key: InChIKey=XKHCEDYSKNATME-YSTUJMKBSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50438782   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50438782
PNG
(CHEMBL2413162)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-
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Article
PubMed
8.67E+3n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 expressed in CHO-K1 cells after 2 hrs by liquid scintillation counting


J Nat Prod 77: 1663-9 (2014)


Article DOI: 10.1021/np500292g
BindingDB Entry DOI: 10.7270/Q269757F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50438782
PNG
(CHEMBL2413162)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 expressed in CHO-K1 cells after 2 hrs by liquid scintillation counting


J Nat Prod 77: 1663-9 (2014)


Article DOI: 10.1021/np500292g
BindingDB Entry DOI: 10.7270/Q269757F
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50438782
PNG
(CHEMBL2413162)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-
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n/an/a 1.37E+4n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins followed by substrate additio...


J Nat Prod 82: 636-646 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00874
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50438782
PNG
(CHEMBL2413162)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAGL-mediated [glycerol-1,2,3-3H]-2-OG hydrolysis preincubated for 15 mins measured 15 mins post 2-OG addition by liquid sc...


J Nat Prod 77: 1663-9 (2014)


Article DOI: 10.1021/np500292g
BindingDB Entry DOI: 10.7270/Q269757F
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50438782
PNG
(CHEMBL2413162)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-
PDB

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PubMed
n/an/a 1.91E+4n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [ethanol-amine-1-3H]AEA hydrolysis in human U937 cells preincubated for 15 mins measured 15 mins post AEA addition by liq...


J Nat Prod 77: 1663-9 (2014)


Article DOI: 10.1021/np500292g
BindingDB Entry DOI: 10.7270/Q269757F
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50438782
PNG
(CHEMBL2413162)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.37E+4n/an/an/an/an/an/a



MCPHS University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins before substrate addition by ...


Bioorg Med Chem 21: 5188-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.034
BindingDB Entry DOI: 10.7270/Q2DJ5H2V
More data for this
Ligand-Target Pair