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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 = 'BDBM50256272'   
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))
BDBM50256272
PNG
(2-(4,5-bis(2,4-dichlorophenyl)-2H-1,2,3-triazol-2-...)
Show SMILES Clc1ccc(-c2nn(CC(=O)NCc3ccccc3Cl)nc2-c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C23H15Cl5N4O/c24-14-5-7-16(19(27)9-14)22-23(17-8-6-15(25)10-20(17)28)31-32(30-22)12-21(33)29-11-13-3-1-2-4-18(13)26/h1-10H,11-12H2,(H,29,33)
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Similars

Article
PubMed
n/an/a 48.9n/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))
BDBM50256272
PNG
(2-(4,5-bis(2,4-dichlorophenyl)-2H-1,2,3-triazol-2-...)
Show SMILES Clc1ccc(-c2nn(CC(=O)NCc3ccccc3Cl)nc2-c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C23H15Cl5N4O/c24-14-5-7-16(19(27)9-14)22-23(17-8-6-15(25)10-20(17)28)31-32(30-22)12-21(33)29-11-13-3-1-2-4-18(13)26/h1-10H,11-12H2,(H,29,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 12.2n/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