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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 = 'BDBM176622'   
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))
BDBM176622
PNG
(US9115121, 13)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(Cl)c(c1)C(C)(C)O
Show InChI InChI=1S/C21H22ClFN4O2/c1-21(2,28)16-12-14(6-9-17(16)22)18-25-19(27-20(26-18)29-3)24-11-10-13-4-7-15(23)8-5-13/h4-9,12,28H,10-11H2,1-3H3,(H,24,25,26,27)
PDB

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PC cid
PC sid
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US Patent
n/an/a 0.400n/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)

More data for this
Ligand-Target Pair