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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 = 'BDBM50384143'   
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))
BDBM50384143
PNG
(CHEMBL2029718)
Show SMILES CN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C27H37N3O3/c1-29(13-3-4-26(31)28-21-7-8-21)27(32)20-6-10-25-23(17-20)22-16-19(5-9-24(22)30(25)2)18-11-14-33-15-12-18/h6,10,17-19,21H,3-5,7-9,11-16H2,1-2H3,(H,28,31)
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
7.10n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
BindingDB Entry DOI: 10.7270/Q28P61JV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384143
PNG
(CHEMBL2029718)
Show SMILES CN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C27H37N3O3/c1-29(13-3-4-26(31)28-21-7-8-21)27(32)20-6-10-25-23(17-20)22-16-19(5-9-24(22)30(25)2)18-11-14-33-15-12-18/h6,10,17-19,21H,3-5,7-9,11-16H2,1-2H3,(H,28,31)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 16.2n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
BindingDB Entry DOI: 10.7270/Q28P61JV
More data for this
Ligand-Target Pair