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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 = 'BDBM50312584'   
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))
BDBM50312584
PNG
(CHEMBL1087874 | N-cyclohexyl-4-((2,5-dichloropheny...)
Show SMILES Clc1ccc(Cl)c(c1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H29Cl2N3O/c25-19-11-12-22(26)21(17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)
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PC cid
PC sid
UniChem
Article
PubMed
5.90n/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))
BDBM50312584
PNG
(CHEMBL1087874 | N-cyclohexyl-4-((2,5-dichloropheny...)
Show SMILES Clc1ccc(Cl)c(c1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H29Cl2N3O/c25-19-11-12-22(26)21(17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/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