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BDBM50056470 (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (4-hydroxy-butyl)-amide::CHEMBL160717

SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCCO

InChI Key: InChIKey=RLJLCJZUZZVRKX-DOFZRALJSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50056470   
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))
BDBM50056470
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (4...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCCO
Show InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(27)25-22-19-20-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Binding affinity against the cannabinoid receptor


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056470
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (4...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCCO
Show InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(27)25-22-19-20-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
497n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair