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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM111145'   
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 2


(Homo sapiens (Human))
BDBM111145
PNG
(US9682940, 173 | US9682940, 35)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22Cl2F3N3O2S/c27-20-6-1-16(2-7-20)24(17-3-8-21(28)9-4-17)19-5-10-23-22(15-19)25(33-32-23)18-11-13-34(14-12-18)37(35,36)26(29,30)31/h1-10,15,18,24H,11-14H2,(H,32,33)
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.78E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...


US Patent US9682940 (2017)


BindingDB Entry DOI: 10.7270/Q2M61HD7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM111145
PNG
(US9682940, 173 | US9682940, 35)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22Cl2F3N3O2S/c27-20-6-1-16(2-7-20)24(17-3-8-21(28)9-4-17)19-5-10-23-22(15-19)25(33-32-23)18-11-13-34(14-12-18)37(35,36)26(29,30)31/h1-10,15,18,24H,11-14H2,(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...


US Patent US9682940 (2017)


BindingDB Entry DOI: 10.7270/Q2M61HD7
More data for this
Ligand-Target Pair