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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Major prion protein' and Ligand = 'BDBM50451082'   
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
Major prion protein


(Mesocricetus auratus)
BDBM50451082
PNG
(CHEMBL4213201)
Show SMILES COc1ccc(OC)c(Nc2nnc(s2)-c2cc3cccc(OC)c3oc2=O)c1
Show InChI InChI=1S/C20H17N3O5S/c1-25-12-7-8-15(26-2)14(10-12)21-20-23-22-18(29-20)13-9-11-5-4-6-16(27-3)17(11)28-19(13)24/h4-10H,1-3H3,(H,21,23)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.64E+4n/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Binding affinity to Syrian hamster PrPC


Bioorg Med Chem 25: 5875-5888 (2017)


Article DOI: 10.1016/j.bmc.2017.09.024
BindingDB Entry DOI: 10.7270/Q2QR50Q1
More data for this
Ligand-Target Pair