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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 = 'BDBM50176418'   
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))
BDBM50176418
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-1-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2N(C(Nc2c1=O)c1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H13Cl2F3N4O/c20-11-5-7-12(8-6-11)28-16(13-3-1-2-4-14(13)21)26-15-17(28)25-10-27(18(15)29)9-19(22,23)24/h1-8,10,16,26H,9H2
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PC cid
PC sid
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Article
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176418
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-1-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2N(C(Nc2c1=O)c1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H13Cl2F3N4O/c20-11-5-7-12(8-6-11)28-16(13-3-1-2-4-14(13)21)26-15-17(28)25-10-27(18(15)29)9-19(22,23)24/h1-8,10,16,26H,9H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair