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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 = 'BDBM50312590'   
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))
BDBM50312590
PNG
(1-(cyclopentylcarbonyl)-4-[(2,4-dichlorophenyl)(ph...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C2CCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c24-19-10-11-20(21(25)16-19)22(17-6-2-1-3-7-17)26-12-14-27(15-13-26)23(28)18-8-4-5-9-18/h1-3,6-7,10-11,16,18,22H,4-5,8-9,12-15H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
732n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312590
PNG
(1-(cyclopentylcarbonyl)-4-[(2,4-dichlorophenyl)(ph...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C2CCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c24-19-10-11-20(21(25)16-19)22(17-6-2-1-3-7-17)26-12-14-27(15-13-26)23(28)18-8-4-5-9-18/h1-3,6-7,10-11,16,18,22H,4-5,8-9,12-15H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 403n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHO cells coexpressing Galpha15/16 assessed as inhibition of CP55940-induced Ca2+ ...


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair