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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 = 'BDBM50267871'   
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))
BDBM50267871
PNG
(CHEMBL489852 | cyclohexyl(4-(naphthalen-1-ylsulfon...)
Show SMILES FC(F)(F)C1CN(CCN1C(=O)C1CCCCC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H25F3N2O3S/c23-22(24,25)20-15-26(13-14-27(20)21(28)17-8-2-1-3-9-17)31(29,30)19-12-6-10-16-7-4-5-11-18(16)19/h4-7,10-12,17,20H,1-3,8-9,13-15H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 290n/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))
BDBM50267871
PNG
(CHEMBL489852 | cyclohexyl(4-(naphthalen-1-ylsulfon...)
Show SMILES FC(F)(F)C1CN(CCN1C(=O)C1CCCCC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H25F3N2O3S/c23-22(24,25)20-15-26(13-14-27(20)21(28)17-8-2-1-3-9-17)31(29,30)19-12-6-10-16-7-4-5-11-18(16)19/h4-7,10-12,17,20H,1-3,8-9,13-15H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.5n/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