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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50020717'   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50020717
PNG
(CHEMBL3291433)
Show SMILES Cc1[nH]c(c(c1-c1ccnc2[nH]c(=S)[nH]c(=O)c12)-c1ccccc1)-c1ccccc1 |(21.9,-22.75,;20.41,-22.34,;19.21,-23.29,;17.93,-22.44,;18.34,-20.96,;19.87,-20.89,;20.72,-19.61,;19.79,-18.37,;20.44,-16.96,;21.96,-16.79,;22.88,-18.03,;24.4,-17.85,;25.32,-19.09,;26.84,-18.92,;24.69,-20.5,;23.17,-20.67,;22.8,-22.17,;22.24,-19.43,;17.38,-19.76,;17.95,-18.32,;16.99,-17.11,;15.46,-17.35,;14.9,-18.78,;15.85,-19.98,;16.48,-22.98,;15.29,-22,;13.85,-22.54,;13.6,-24.06,;14.78,-25.04,;16.22,-24.5,)|
Show InChI InChI=1S/C24H18N4OS/c1-14-18(17-12-13-25-22-20(17)23(29)28-24(30)27-22)19(15-8-4-2-5-9-15)21(26-14)16-10-6-3-7-11-16/h2-13,26H,1H3,(H2,25,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged HDM2 (unknown origin) expressed in Escherichia coli BL21 cells assessed as p53 activation by measuring inhibition of His-p53...


Eur J Med Chem 82: 472-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.082
BindingDB Entry DOI: 10.7270/Q2GT5PR8
More data for this
Ligand-Target Pair