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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 = 'BDBM50055571'   
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))
BDBM50055571
PNG
(CHEMBL3329945)
Show SMILES CCCCCc1cc(O)c2C3=C(CC[C@H](C)C3)C(C)(C)Oc2c1 |r,t:10|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,22H,5-11H2,1-4H3/t14-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in CHO-K1 cells by liquid scintillation counting


Eur J Med Chem 85: 77-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.062
BindingDB Entry DOI: 10.7270/Q2NS0WKT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50055571
PNG
(CHEMBL3329945)
Show SMILES CCCCCc1cc(O)c2C3=C(CC[C@H](C)C3)C(C)(C)Oc2c1 |r,t:10|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,22H,5-11H2,1-4H3/t14-/m0/s1
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 88n/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Partial agonist activity at human cannabinoid CB1 receptor expressed in CHO-K1 cells assessed as [S35]GTPgammaS binding by scintillation counting


Eur J Med Chem 85: 77-86 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.062
BindingDB Entry DOI: 10.7270/Q2NS0WKT
More data for this
Ligand-Target Pair