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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 = 'BDBM50172909'   
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))
BDBM50172909
PNG
(3,4-diarylpyrazoline derivative | CHEMBL372650)
Show SMILES CN=C(NS(=O)(=O)N(C)C)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:13|
Show InChI InChI=1S/C19H22ClN5O2S/c1-21-19(23-28(26,27)24(2)3)25-13-17(14-7-5-4-6-8-14)18(22-25)15-9-11-16(20)12-10-15/h4-12,17H,13H2,1-3H3,(H,21,23)
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PC sid
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Similars

Article
PubMed
223n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 1


Bioorg Med Chem Lett 15: 4794-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.054
BindingDB Entry DOI: 10.7270/Q2W959ZZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50172909
PNG
(3,4-diarylpyrazoline derivative | CHEMBL372650)
Show SMILES CN=C(NS(=O)(=O)N(C)C)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:13|
Show InChI InChI=1S/C19H22ClN5O2S/c1-21-19(23-28(26,27)24(2)3)25-13-17(14-7-5-4-6-8-14)18(22-25)15-9-11-16(20)12-10-15/h4-12,17H,13H2,1-3H3,(H,21,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
223n/an/an/an/an/an/an/an/a



Radboud University Nijmegen Medical Centre

Curated by ChEMBL


Assay Description
Displacement of radioligand CP55940 from human CB1 receptor expressed in CHO cells by radioligand binding assay


Drug Metab Dispos 39: 1294-302 (2011)


Article DOI: 10.1124/dmd.110.037812
BindingDB Entry DOI: 10.7270/Q2MK6FMS
More data for this
Ligand-Target Pair