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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 = 'BDBM50181456'   
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))
BDBM50181456
PNG
(1,3-bis(4-chlorophenyl)-5-phenyl-2-thioxoimidazoli...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=S)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl2N2OS/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.16E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181456
PNG
(1,3-bis(4-chlorophenyl)-5-phenyl-2-thioxoimidazoli...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=S)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl2N2OS/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair