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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 = 'BDBM50426111'   
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))
BDBM50426111
PNG
(CHEMBL2316294)
Show SMILES Cc1nn(C)c2n(CCN3CCOCC3)cc(C(=O)NC3CCCCC3)c(=O)c12
Show InChI InChI=1S/C21H31N5O3/c1-15-18-19(27)17(20(28)22-16-6-4-3-5-7-16)14-26(21(18)24(2)23-15)9-8-25-10-12-29-13-11-25/h14,16H,3-13H2,1-2H3,(H,22,28)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50426111
PNG
(CHEMBL2316294)
Show SMILES Cc1nn(C)c2n(CCN3CCOCC3)cc(C(=O)NC3CCCCC3)c(=O)c12
Show InChI InChI=1S/C21H31N5O3/c1-15-18-19(27)17(20(28)22-16-6-4-3-5-7-16)14-26(21(18)24(2)23-15)9-8-25-10-12-29-13-11-25/h14,16H,3-13H2,1-2H3,(H,22,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from Sprague-Dawley rat brain CB1 receptor by scintillation counting analysis


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair