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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 = 'BDBM50382743'   
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))
BDBM50382743
PNG
(CHEMBL2023581)
Show SMILES OC(=O)Cc1csc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)n1
Show InChI InChI=1S/C24H31N3O4S/c28-21(29)13-18-15-32-24(25-18)26-22(30)19-12-17-10-6-1-2-7-11-20(17)27(23(19)31)14-16-8-4-3-5-9-16/h12,15-16H,1-11,13-14H2,(H,28,29)(H,25,26,30)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
425n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50382743
PNG
(CHEMBL2023581)
Show SMILES OC(=O)Cc1csc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)n1
Show InChI InChI=1S/C24H31N3O4S/c28-21(29)13-18-15-32-24(25-18)26-22(30)19-12-17-10-6-1-2-7-11-20(17)27(23(19)31)14-16-8-4-3-5-9-16/h12,15-16H,1-11,13-14H2,(H,28,29)(H,25,26,30)
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/a 398n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP levels after 20 mins


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair