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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 = 'BDBM50334011'   
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))
BDBM50334011
PNG
(4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18-6-2-4-16(12-18)19-13-25-20(26-19)17-5-1-3-15(11-17)14-27-7-9-28-10-8-27/h1-6,11-13H,7-10,14H2,(H,25,26)
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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human cloned CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
BindingDB Entry DOI: 10.7270/Q20P108G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334011
PNG
(4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18-6-2-4-16(12-18)19-13-25-20(26-19)17-5-1-3-15(11-17)14-27-7-9-28-10-8-27/h1-6,11-13H,7-10,14H2,(H,25,26)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
BindingDB Entry DOI: 10.7270/Q20P108G
More data for this
Ligand-Target Pair