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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 = 'BDBM50380900'   
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))
BDBM50380900
PNG
(CHEMBL2019080)
Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
258n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380900
PNG
(CHEMBL2019080)
Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 113n/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 inhibition of forskolin-induced cAMP release after 25 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair