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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 = 'BDBM50348122'   
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))
BDBM50348122
PNG
(CHEMBL1800168)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C17H24N2O2S/c1-5-22(20,21)13-8-9-15-14(10-13)18-16(17(2,3)4)19(15)11-12-6-7-12/h8-10,12H,5-7,11H2,1-4H3
PDB

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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human CB1 receptor


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
BindingDB Entry DOI: 10.7270/Q2959HXV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348122
PNG
(CHEMBL1800168)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C17H24N2O2S/c1-5-22(20,21)13-8-9-15-14(10-13)18-16(17(2,3)4)19(15)11-12-6-7-12/h8-10,12H,5-7,11H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor by functional assay


Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
BindingDB Entry DOI: 10.7270/Q2959HXV
More data for this
Ligand-Target Pair