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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 = 'BDBM50161561'   
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))
BDBM50161561
PNG
(4,5-Bis-(4-chloro-phenyl)-1H-imidazole-2-carboxyli...)
Show SMILES Clc1ccc(cc1)-c1nc([nH]c1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H20Cl2N4O/c22-16-8-4-14(5-9-16)18-19(15-6-10-17(23)11-7-15)25-20(24-18)21(28)26-27-12-2-1-3-13-27/h4-11H,1-3,12-13H2,(H,24,25)(H,26,28)
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Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
BindingDB Entry DOI: 10.7270/Q2F18Z7R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161561
PNG
(4,5-Bis-(4-chloro-phenyl)-1H-imidazole-2-carboxyli...)
Show SMILES Clc1ccc(cc1)-c1nc([nH]c1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H20Cl2N4O/c22-16-8-4-14(5-9-16)18-19(15-6-10-17(23)11-7-15)25-20(24-18)21(28)26-27-12-2-1-3-13-27/h4-11H,1-3,12-13H2,(H,24,25)(H,26,28)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.03E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
BindingDB Entry DOI: 10.7270/Q2CN7543
More data for this
Ligand-Target Pair