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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 = 'BDBM239074'   
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


(Mus musculus (Mouse))
BDBM239074
PNG
(US9416103, JWH-073-M1)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2c(O)cccc12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-19(22-20(24)12-7-13-21(22)25)23(26)18-11-6-9-16-8-4-5-10-17(16)18/h4-13,15,25H,2-3,14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
US Patent
14.1 -44.8n/an/an/an/an/an/a25



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...


US Patent US9416103 (2016)


BindingDB Entry DOI: 10.7270/Q2HX1BKQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM239074
PNG
(US9416103, JWH-073-M1)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2c(O)cccc12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-19(22-20(24)12-7-13-21(22)25)23(26)18-11-6-9-16-8-4-5-10-17(16)18/h4-13,15,25H,2-3,14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 113n/an/an/a30



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
[35S]GTPγS binding was performed as previously described [Brents et al., PLoS One, 6:e21917]. Briefly, 25 μg of mouse brain homogenates were...


US Patent US9416103 (2016)


BindingDB Entry DOI: 10.7270/Q2HX1BKQ
More data for this
Ligand-Target Pair