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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 = 'BDBM50161553'   
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))
BDBM50161553
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C21H19Cl3N4O2/c1-27-19(13-2-4-14(22)5-3-13)18(16-7-6-15(23)12-17(16)24)25-20(27)21(29)26-28-8-10-30-11-9-28/h2-7,12H,8-11H2,1H3,(H,26,29)
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Article
PubMed
n/an/a 170n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161553
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C21H19Cl3N4O2/c1-27-19(13-2-4-14(22)5-3-13)18(16-7-6-15(23)12-17(16)24)25-20(27)21(29)26-28-8-10-30-11-9-28/h2-7,12H,8-11H2,1H3,(H,26,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 170n/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