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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 = 'BDBM50056467'   
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


(Homo sapiens (Human))
BDBM50056467
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid bu...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCC
Show InChI InChI=1S/C24H41NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-23H2,1-2H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-
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PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Binding affinity against the cannabinoid receptor


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


(Rattus norvegicus (rat))
BDBM50056467
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid bu...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCC
Show InChI InChI=1S/C24H41NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-23H2,1-2H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-
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Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
236n/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