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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 = 'BDBM50267773'   
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))
BDBM50267773
PNG
(CHEMBL489429 | cyclohexyl(4-(3,5-dichlorophenylsul...)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCCCC1
Show InChI InChI=1S/C17H22Cl2N2O3S/c18-14-10-15(19)12-16(11-14)25(23,24)21-8-6-20(7-9-21)17(22)13-4-2-1-3-5-13/h10-13H,1-9H2
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267773
PNG
(CHEMBL489429 | cyclohexyl(4-(3,5-dichlorophenylsul...)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCCCC1
Show InChI InChI=1S/C17H22Cl2N2O3S/c18-14-10-15(19)12-16(11-14)25(23,24)21-8-6-20(7-9-21)17(22)13-4-2-1-3-5-13/h10-13H,1-9H2
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 0.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1R expressed in CHO cells assessed as increase in forskolin-stimulated cAMP level


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair