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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 = 'BDBM50332246'   
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))
BDBM50332246
PNG
((E)-N-(4-Hydroxyphenyl)-6-(4-methoxyphenyl)-4-oxoh...)
Show SMILES COc1ccc(C=CC(=O)CCC(=O)Nc2ccc(O)cc2)cc1 |w:6.5|
Show InChI InChI=1S/C19H19NO4/c1-24-18-11-3-14(4-12-18)2-7-16(21)10-13-19(23)20-15-5-8-17(22)9-6-15/h2-9,11-12,22H,10,13H2,1H3,(H,20,23)
PDB

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KEGG

UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

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



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 18: 8463-77 (2010)


Article DOI: 10.1016/j.bmc.2010.10.050
BindingDB Entry DOI: 10.7270/Q2319W4V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332246
PNG
((E)-N-(4-Hydroxyphenyl)-6-(4-methoxyphenyl)-4-oxoh...)
Show SMILES COc1ccc(C=CC(=O)CCC(=O)Nc2ccc(O)cc2)cc1 |w:6.5|
Show InChI InChI=1S/C19H19NO4/c1-24-18-11-3-14(4-12-18)2-7-16(21)10-13-19(23)20-15-5-8-17(22)9-6-15/h2-9,11-12,22H,10,13H2,1H3,(H,20,23)
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/a>1.00E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 18: 8463-77 (2010)


Article DOI: 10.1016/j.bmc.2010.10.050
BindingDB Entry DOI: 10.7270/Q2319W4V
More data for this
Ligand-Target Pair