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BDBM50247118 (R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-19-(3-iodophenyl)nonadeca-5,8,11,14-tetraenamide::CHEMBL460487

SMILES: C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCc1cccc(I)c1

InChI Key: InChIKey=YQYRGGAQSXGSIT-OGKKXEKVSA-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 = 50247118   
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))
BDBM50247118
PNG
((R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-19-(3-i...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCc1cccc(I)c1 |r|
Show InChI InChI=1S/C28H40INO2/c1-25(24-31)30-28(32)22-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-26-20-18-21-27(29)23-26/h2,4-5,7-8,10-11,13,18,20-21,23,25,31H,3,6,9,12,14-17,19,22,24H2,1H3,(H,30,32)/b4-2-,7-5-,10-8-,13-11-/t25-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
533n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from cannabinoid CB1 receptor in rat brain membrane in presence of phenylmethanesulfonyl fluoride


Bioorg Med Chem Lett 18: 5912-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.110
BindingDB Entry DOI: 10.7270/Q22R3RGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50247118
PNG
((R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-19-(3-i...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCc1cccc(I)c1 |r|
Show InChI InChI=1S/C28H40INO2/c1-25(24-31)30-28(32)22-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-26-20-18-21-27(29)23-26/h2,4-5,7-8,10-11,13,18,20-21,23,25,31H,3,6,9,12,14-17,19,22,24H2,1H3,(H,30,32)/b4-2-,7-5-,10-8-,13-11-/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from cannabinoid CB2 receptor in mouse spleen membrane


Bioorg Med Chem Lett 18: 5912-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.110
BindingDB Entry DOI: 10.7270/Q22R3RGB
More data for this
Ligand-Target Pair