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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50054474'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50054474
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccccc1O
Show InChI InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(29)27-24-21-19-20-22-25(24)28/h6-7,9-10,12-13,15-16,19-22,28H,2-5,8,11,14,17-18,23H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.66E+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 1


(Rattus norvegicus (rat))
BDBM50054474
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccccc1O
Show InChI InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(29)27-24-21-19-20-22-25(24)28/h6-7,9-10,12-13,15-16,19-22,28H,2-5,8,11,14,17-18,23H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.66E+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