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BDBM50054475 (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (3-hydroxy-phenyl)-amide::CHEMBL141647

SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1cccc(O)c1

InChI Key: InChIKey=ZWSMMQKRRVRXBA-DOFZRALJSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50054475   
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


(Rattus norvegicus (rat))
BDBM50054475
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (3...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26(29)27-24-20-19-21-25(28)23-24/h6-7,9-10,12-13,15-16,19-21,23,28H,2-5,8,11,14,17-18,22H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
PDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
1.56E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from Cannabinoid receptor 1 of rat forebrain membranes


J Med Chem 39: 4515-9 (1996)


Article DOI: 10.1021/jm960152y
BindingDB Entry DOI: 10.7270/Q2HH6J5K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50054475
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (3...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26(29)27-24-20-19-21-25(28)23-24/h6-7,9-10,12-13,15-16,19-21,23,28H,2-5,8,11,14,17-18,22H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
PDB

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CHEMBL
PC cid
PC sid
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Article
PubMed
1.56E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Tested for binding affinity to Cannabinoid receptor 1


J Med Chem 42: 896-902 (1999)


Article DOI: 10.1021/jm980461j
BindingDB Entry DOI: 10.7270/Q2XG9Q9Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50054475
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (3...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26(29)27-24-20-19-21-25(28)23-24/h6-7,9-10,12-13,15-16,19-21,23,28H,2-5,8,11,14,17-18,22H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
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CHEMBL
PC cid
PC sid
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Article
PubMed
3.10E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for mouse spleen Cannabinoid receptor 2


J Med Chem 39: 4515-9 (1996)


Article DOI: 10.1021/jm960152y
BindingDB Entry DOI: 10.7270/Q2HH6J5K
More data for this
Ligand-Target Pair