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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 = 'BDBM50267407'   
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))
BDBM50267407
PNG
(CHEMBL477867 | cyclohexyl(4-(3-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCCCC1
Show InChI InChI=1S/C18H23F3N2O3S/c19-18(20,21)15-7-4-8-16(13-15)27(25,26)23-11-9-22(10-12-23)17(24)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2
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MCE
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.20E+3n/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))
BDBM50267407
PNG
(CHEMBL477867 | cyclohexyl(4-(3-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCCCC1
Show InChI InChI=1S/C18H23F3N2O3S/c19-18(20,21)15-7-4-8-16(13-15)27(25,26)23-11-9-22(10-12-23)17(24)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/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