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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM176602'   
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))
BDBM176602
PNG
(US9115121, 18)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1cc2c(Cl)cccc2[nH]1
Show InChI InChI=1S/C20H17ClFN5O/c1-28-20-26-18(17-11-14-15(21)3-2-4-16(14)24-17)25-19(27-20)23-10-9-12-5-7-13(22)8-6-12/h2-8,11,24H,9-10H2,1H3,(H,23,25,26,27)
PDB

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US Patent
n/an/a 7n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...


US Patent US9115121 (2015)


BindingDB Entry DOI: 10.7270/Q23N225X
More data for this
Ligand-Target Pair