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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 = 'BDBM50405860'   
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))
BDBM50405860
PNG
(CHEMBL5278170)
Show SMILES CC(C)(C)C(=O)Nc1c(OC(=O)C(C)(C)C)ccc2nc(sc12)S(N)(=O)=O
Show InChI InChI=1S/C17H23N3O5S2/c1-16(2,3)13(21)20-11-10(25-14(22)17(4,5)6)8-7-9-12(11)26-15(19-9)27(18,23)24/h7-8H,1-6H3,(H,20,21)(H2,18,23,24)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat microsomal HMG-CoA reductase activity by 50%


Citation and Details
More data for this
Ligand-Target Pair