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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 = 'BDBM368194'   
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))
BDBM368194
PNG
(US10227332, No. 8)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H27N3O/c1-2-3-6-13-25-20-8-5-4-7-18(20)19-16-17(9-10-21(19)25)22(26)24-14-11-23-12-15-24/h4-5,7-10,16,23H,2-3,6,11-15H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
283n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM368194
PNG
(US10227332, No. 8)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H27N3O/c1-2-3-6-13-25-20-8-5-4-7-18(20)19-16-17(9-10-21(19)25)22(26)24-14-11-23-12-15-24/h4-5,7-10,16,23H,2-3,6,11-15H2,1H3
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PC sid
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US Patent
283n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The structure-activity relationship and optimization studies have led to the discovery of selective T-type calcium channel blockers, e.g., compound 9...


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2TF00PH
More data for this
Ligand-Target Pair