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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM239075'   
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))
BDBM239075
PNG
(US9416103, JWH-073-M4)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...


J Med Chem 56: 4537-50 (2013)


Article DOI: 10.1021/jm400268b
BindingDB Entry DOI: 10.7270/Q25M68M1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM239075
PNG
(US9416103, JWH-073-M4)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/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
24.2n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


US Patent US9416103 (2016)


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


(Mus musculus (Mouse))
BDBM239075
PNG
(US9416103, JWH-073-M4)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
122 -39.5n/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))
BDBM239075
PNG
(US9416103, JWH-073-M4)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 225n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...


J Med Chem 56: 4537-50 (2013)


Article DOI: 10.1021/jm400268b
BindingDB Entry DOI: 10.7270/Q25M68M1
More data for this
Ligand-Target Pair