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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 = 'BDBM50424471'   
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))
BDBM50424471
PNG
(CHEMBL2316390)
Show SMILES Clc1ccc(NC(=O)c2cccc3ccccc23)c(c1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C25H25ClN2O2/c26-19-13-14-23(22(15-19)24(29)27-16-17-7-2-1-3-8-17)28-25(30)21-12-6-10-18-9-4-5-11-20(18)21/h4-6,9-15,17H,1-3,7-8,16H2,(H,27,29)(H,28,30)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424471
PNG
(CHEMBL2316390)
Show SMILES Clc1ccc(NC(=O)c2cccc3ccccc23)c(c1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C25H25ClN2O2/c26-19-13-14-23(22(15-19)24(29)27-16-17-7-2-1-3-8-17)28-25(30)21-12-6-10-18-9-4-5-11-20(18)21/h4-6,9-15,17H,1-3,7-8,16H2,(H,27,29)(H,28,30)
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 260n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair