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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50584059'   
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))
BDBM50584059
PNG
(CHEMBL5080045)
Show SMILES Clc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimul...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01432
BindingDB Entry DOI: 10.7270/Q2XP78TM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50584059
PNG
(CHEMBL5080045)
Show SMILES Clc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 562n/an/an/an/an/an/a


TBA

Assay Description
Allosteric antagonist activity against mouse CB1 receptor expressed in HEK293 cells membrane measured after 60 mins by [35S]GTPgammaS binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01432
BindingDB Entry DOI: 10.7270/Q2XP78TM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50584059
PNG
(CHEMBL5080045)
Show SMILES Clc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.51E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at N-terminal tagged human CB1 receptor transfected with HEK293 cells assessed as forskolin-stimulated cAMP level in presence of ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01432
BindingDB Entry DOI: 10.7270/Q2XP78TM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50584059
PNG
(CHEMBL5080045)
Show SMILES Clc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.13E+3n/an/an/an/an/an/a


TBA

Assay Description
Allosteric antagonist activity against human CB1 receptor expressed in HEK293 cells membrane measured after 60 mins by [35S]GTPgammaS binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01432
BindingDB Entry DOI: 10.7270/Q2XP78TM
More data for this
Ligand-Target Pair