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BDBM50072772 (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (3-chloro-propyl)-amide::CHEMBL151864

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

InChI Key: InChIKey=QPBVZTQMIRREQE-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 = 50072772   
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))
BDBM50072772
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)NCCCCl
Show InChI InChI=1S/C23H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-,16-15-
PDB

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Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...


J Med Chem 41: 5353-61 (1999)


Article DOI: 10.1021/jm970257g
BindingDB Entry DOI: 10.7270/Q2ZS2VNV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50072772
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)NCCCCl
Show InChI InChI=1S/C23H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-,16-15-
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Article
PubMed
193n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 2 from mouse spleen membranes using 0.8 nM [3H]-CP-55,940 as radioligand


J Med Chem 41: 5353-61 (1999)


Article DOI: 10.1021/jm970257g
BindingDB Entry DOI: 10.7270/Q2ZS2VNV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50072772
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)NCCCCl
Show InChI InChI=1S/C23H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-,16-15-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
387n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the absence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H]...


J Med Chem 41: 5353-61 (1999)


Article DOI: 10.1021/jm970257g
BindingDB Entry DOI: 10.7270/Q2ZS2VNV
More data for this
Ligand-Target Pair