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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 = 'BDBM50072773'   
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))
BDBM50072773
PNG
((5Z,8Z,11Z,14Z)-1-(2-Hydroxy-1,1-dimethyl-ethylami...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)NC(C)(C)CO
Show InChI InChI=1S/C24H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(27)25-24(2,3)22-26/h8-9,11-12,14-15,17-18,23,25-27H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
151n/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 1


(Rattus norvegicus (rat))
BDBM50072773
PNG
((5Z,8Z,11Z,14Z)-1-(2-Hydroxy-1,1-dimethyl-ethylami...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)NC(C)(C)CO
Show InChI InChI=1S/C24H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(27)25-24(2,3)22-26/h8-9,11-12,14-15,17-18,23,25-27H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
189n/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