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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 = 'BDBM82141'   
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))
BDBM82141
PNG
(WIN 55212-2)
Show SMILES CC1=C(C2C=CC=C3OC[C@@H](CN4CCOCC4)N1C23)C(=O)c1cccc2ccccc12 |r,c:4,t:1,6|
Show InChI InChI=1S/C27H28N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20,23,26H,12-17H2,1H3/t20-,23?,26?/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
7.30 -46.4n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM82141
PNG
(WIN 55212-2)
Show SMILES CC1=C(C2C=CC=C3OC[C@@H](CN4CCOCC4)N1C23)C(=O)c1cccc2ccccc12 |r,c:4,t:1,6|
Show InChI InChI=1S/C27H28N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20,23,26H,12-17H2,1H3/t20-,23?,26?/m1/s1
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


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


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair