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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 = 'BDBM50012594'   
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))
BDBM50012594
PNG
(CHEMBL3260811)
Show SMILES OC(=O)c1nc(-c2ccccc2)n(c1-c1cccc(Cl)c1)-c1cccc(Cl)c1F |(41.13,-1.76,;40.46,-3.15,;38.92,-3.25,;41.32,-4.43,;42.86,-4.48,;43.29,-5.96,;44.73,-6.49,;44.99,-8.01,;46.44,-8.54,;47.62,-7.55,;47.35,-6.03,;45.91,-5.5,;42.01,-6.82,;40.8,-5.87,;39.26,-5.87,;38.49,-7.19,;36.95,-7.19,;36.18,-5.85,;36.96,-4.52,;36.19,-3.18,;38.5,-4.53,;41.95,-8.36,;40.59,-9.08,;40.53,-10.61,;41.84,-11.43,;43.21,-10.7,;44.51,-11.52,;43.26,-9.17,;44.61,-8.44,)|
Show InChI InChI=1S/C22H13Cl2FN2O2/c23-15-9-4-8-14(12-15)20-19(22(28)29)26-21(13-6-2-1-3-7-13)27(20)17-11-5-10-16(24)18(17)25/h1-12H,(H,28,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay


Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair