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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 = 'BDBM50275446'   
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


(Rattus norvegicus (rat))
BDBM50275446
PNG
(2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichloro...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-27-21(30-20)22(2,3)4)28-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.59n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 18: 1149-62 (2010)


Article DOI: 10.1016/j.bmc.2009.12.040
BindingDB Entry DOI: 10.7270/Q2TD9XG2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50275446
PNG
(2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichloro...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-27-21(30-20)22(2,3)4)28-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.59n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebellum by liquid scintillation spectrometry


J Med Chem 51: 7216-33 (2009)


Article DOI: 10.1021/jm800843r
BindingDB Entry DOI: 10.7270/Q2PK0G0G
More data for this
Ligand-Target Pair