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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 = 'BDBM50176407'   
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))
BDBM50176407
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)
Show SMILES CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.100n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176407
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)
Show SMILES CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/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
More data for this
Ligand-Target Pair