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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 = 'BDBM50256075'   
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))
BDBM50256075
PNG
(2-(4,5-bis(2,4-dichlorophenyl)-2H-1,2,3-triazol-2-...)
Show SMILES Clc1ccc(-c2nn(CC(=O)N3CCCCC3)nc2-c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C21H18Cl4N4O/c22-13-4-6-15(17(24)10-13)20-21(16-7-5-14(23)11-18(16)25)27-29(26-20)12-19(30)28-8-2-1-3-9-28/h4-7,10-11H,1-3,8-9,12H2
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Article
PubMed
n/an/a 169n/an/an/an/an/an/a



National Central University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1022-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.029
BindingDB Entry DOI: 10.7270/Q2Z89C8M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256075
PNG
(2-(4,5-bis(2,4-dichlorophenyl)-2H-1,2,3-triazol-2-...)
Show SMILES Clc1ccc(-c2nn(CC(=O)N3CCCCC3)nc2-c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C21H18Cl4N4O/c22-13-4-6-15(17(24)10-13)20-21(16-7-5-14(23)11-18(16)25)27-29(26-20)12-19(30)28-8-2-1-3-9-28/h4-7,10-11H,1-3,8-9,12H2
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/an/an/a 122n/an/an/an/a



National Central University

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in HEK293 cells assessed as inhibition of Eu-GTP binding


Bioorg Med Chem Lett 19: 1022-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.029
BindingDB Entry DOI: 10.7270/Q2Z89C8M
More data for this
Ligand-Target Pair