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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 = 'BDBM50426110'   
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


(Rattus norvegicus (rat))
BDBM50426110
PNG
(CHEMBL2316295)
Show SMILES CCCCCn1cc(C(=O)NCC2CCCCC2)c(=O)c2c(C)nn(C)c12
Show InChI InChI=1S/C21H32N4O2/c1-4-5-9-12-25-14-17(19(26)18-15(2)23-24(3)21(18)25)20(27)22-13-16-10-7-6-8-11-16/h14,16H,4-13H2,1-3H3,(H,22,27)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.04E+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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50426110
PNG
(CHEMBL2316295)
Show SMILES CCCCCn1cc(C(=O)NCC2CCCCC2)c(=O)c2c(C)nn(C)c12
Show InChI InChI=1S/C21H32N4O2/c1-4-5-9-12-25-14-17(19(26)18-15(2)23-24(3)21(18)25)20(27)22-13-16-10-7-6-8-11-16/h14,16H,4-13H2,1-3H3,(H,22,27)
PDB

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UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.12E+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