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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1/2' and Ligand = 'BDBM50515050'   
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 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515050
PNG
(CHEMBL4443479)
Show SMILES NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H24N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16,25H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
190n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515050
PNG
(CHEMBL4443479)
Show SMILES NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H24N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16,25H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
269n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair