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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 = 'BDBM50426113'   
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))
BDBM50426113
PNG
(CHEMBL2316292)
Show SMILES Cc1nn(C)c2n(Cc3ccccc3)cc(C(=O)NC3CCCCC3)c(=O)c12
Show InChI InChI=1S/C22H26N4O2/c1-15-19-20(27)18(21(28)23-17-11-7-4-8-12-17)14-26(22(19)25(2)24-15)13-16-9-5-3-6-10-16/h3,5-6,9-10,14,17H,4,7-8,11-13H2,1-2H3,(H,23,28)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.25E+3n/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))
BDBM50426113
PNG
(CHEMBL2316292)
Show SMILES Cc1nn(C)c2n(Cc3ccccc3)cc(C(=O)NC3CCCCC3)c(=O)c12
Show InChI InChI=1S/C22H26N4O2/c1-15-19-20(27)18(21(28)23-17-11-7-4-8-12-17)14-26(22(19)25(2)24-15)13-16-9-5-3-6-10-16/h3,5-6,9-10,14,17H,4,7-8,11-13H2,1-2H3,(H,23,28)
PDB

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KEGG

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.56E+3n/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