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BDBM50332252 (E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid diethanolamide::CHEMBL1288179

SMILES: OCCN(CCO)C(=O)CCC(=O)C=Cc1ccc2ccccc2c1

InChI Key: InChIKey=WOJIUTKWJQPBIU-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 50332252   
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 2


(Homo sapiens (Human))
BDBM50332252
PNG
((E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid dietha...)
Show SMILES OCCN(CCO)C(=O)CCC(=O)C=Cc1ccc2ccccc2c1 |w:14.14|
Show InChI InChI=1S/C20H23NO4/c22-13-11-21(12-14-23)20(25)10-9-19(24)8-6-16-5-7-17-3-1-2-4-18(17)15-16/h1-8,15,22-23H,9-14H2
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 18: 8463-77 (2010)


Article DOI: 10.1016/j.bmc.2010.10.050
BindingDB Entry DOI: 10.7270/Q2319W4V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332252
PNG
((E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid dietha...)
Show SMILES OCCN(CCO)C(=O)CCC(=O)C=Cc1ccc2ccccc2c1 |w:14.14|
Show InChI InChI=1S/C20H23NO4/c22-13-11-21(12-14-23)20(25)10-9-19(24)8-6-16-5-7-17-3-1-2-4-18(17)15-16/h1-8,15,22-23H,9-14H2
PDB

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 18: 8463-77 (2010)


Article DOI: 10.1016/j.bmc.2010.10.050
BindingDB Entry DOI: 10.7270/Q2319W4V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332252
PNG
((E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid dietha...)
Show SMILES OCCN(CCO)C(=O)CCC(=O)C=Cc1ccc2ccccc2c1 |w:14.14|
Show InChI InChI=1S/C20H23NO4/c22-13-11-21(12-14-23)20(25)10-9-19(24)8-6-16-5-7-17-3-1-2-4-18(17)15-16/h1-8,15,22-23H,9-14H2
PDB

NCI pathway
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 18: 8463-77 (2010)


Article DOI: 10.1016/j.bmc.2010.10.050
BindingDB Entry DOI: 10.7270/Q2319W4V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332252
PNG
((E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid dietha...)
Show SMILES OCCN(CCO)C(=O)CCC(=O)C=Cc1ccc2ccccc2c1 |w:14.14|
Show InChI InChI=1S/C20H23NO4/c22-13-11-21(12-14-23)20(25)10-9-19(24)8-6-16-5-7-17-3-1-2-4-18(17)15-16/h1-8,15,22-23H,9-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 18: 8463-77 (2010)


Article DOI: 10.1016/j.bmc.2010.10.050
BindingDB Entry DOI: 10.7270/Q2319W4V
More data for this
Ligand-Target Pair