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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 = 'BDBM50267772'   
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))
BDBM50267772
PNG
(CHEMBL522930 | cyclohexyl(4-(3,5-dimethylphenylsul...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H28N2O3S/c1-15-12-16(2)14-18(13-15)25(23,24)21-10-8-20(9-11-21)19(22)17-6-4-3-5-7-17/h12-14,17H,3-11H2,1-2H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/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))
BDBM50267772
PNG
(CHEMBL522930 | cyclohexyl(4-(3,5-dimethylphenylsul...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H28N2O3S/c1-15-12-16(2)14-18(13-15)25(23,24)21-10-8-20(9-11-21)19(22)17-6-4-3-5-7-17/h12-14,17H,3-11H2,1-2H3
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 1.10n/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