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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 = 'BDBM50426089'   
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))
BDBM50426089
PNG
(CHEMBL2316278)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(nn(C)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H33ClN4O2/c1-3-4-9-16-31-17-21(25(33)28-20-10-7-5-6-8-11-20)24(32)22-23(29-30(2)26(22)31)18-12-14-19(27)15-13-18/h12-15,17,20H,3-11,16H2,1-2H3,(H,28,33)
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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))
BDBM50426089
PNG
(CHEMBL2316278)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(nn(C)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H33ClN4O2/c1-3-4-9-16-31-17-21(25(33)28-20-10-7-5-6-8-11-20)24(32)22-23(29-30(2)26(22)31)18-12-14-19(27)15-13-18/h12-15,17,20H,3-11,16H2,1-2H3,(H,28,33)
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