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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 = 'BDBM50256120'   
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))
BDBM50256120
PNG
(CHEMBL515118 | N-benzyl-2-(4-(4-chlorophenyl)-5-(2...)
Show SMILES Clc1ccc(cc1)-c1nn(CC(=O)NCc2ccccc2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H17Cl3N4O/c24-17-8-6-16(7-9-17)22-23(19-11-10-18(25)12-20(19)26)29-30(28-22)14-21(31)27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,31)
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Article
PubMed
n/an/a 204n/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))
BDBM50256120
PNG
(CHEMBL515118 | N-benzyl-2-(4-(4-chlorophenyl)-5-(2...)
Show SMILES Clc1ccc(cc1)-c1nn(CC(=O)NCc2ccccc2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H17Cl3N4O/c24-17-8-6-16(7-9-17)22-23(19-11-10-18(25)12-20(19)26)29-30(28-22)14-21(31)27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,31)
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 216n/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