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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 = 'BDBM143522'   
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))
BDBM143522
PNG
(US9682955, 75)
Show SMILES FC(F)(F)c1ccc(CNc2nc(OCCN=[N+]=[N-])nc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C31H23Cl2F3N6O/c32-24-10-3-20(4-11-24)28(21-5-12-25(33)13-6-21)22-7-14-27-26(17-22)29(41-30(40-27)43-16-15-39-42-37)38-18-19-1-8-23(9-2-19)31(34,35)36/h1-14,17,28H,15-16,18H2,(H,38,40,41)
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...


US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair