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BDBM50056493 (4E,7Z,10Z,13Z,16Z,19E)-Docosa-4,7,10,13,16,19-hexaenoic acid (2-hydroxy-ethyl)-amide::CHEMBL161520

SMILES: CC\C=C\C\C=C/C\C=C/C\C=C/C\C=C/C\C=C\CCC(=O)NCCO

InChI Key: InChIKey=GEEHOLRSGZPBSM-FJOPGZJJSA-N

Data: 2 KI

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 2 hits for monomerid = 50056493   
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))
BDBM50056493
PNG
((4E,7Z,10Z,13Z,16Z,19E)-Docosa-4,7,10,13,16,19-hex...)
Show SMILES CC\C=C\C\C=C/C\C=C/C\C=C/C\C=C/C\C=C\CCC(=O)NCCO
Show InChI InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3+,7-6-,10-9-,13-12-,16-15-,19-18+
PDB

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GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
324n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056493
PNG
((4E,7Z,10Z,13Z,16Z,19E)-Docosa-4,7,10,13,16,19-hex...)
Show SMILES CC\C=C\C\C=C/C\C=C/C\C=C/C\C=C/C\C=C\CCC(=O)NCCO
Show InChI InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3+,7-6-,10-9-,13-12-,16-15-,19-18+
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
1.22E+4n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Binding affinity against the cloned human 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