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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 = 'BDBM50012596'   
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))
BDBM50012596
PNG
(CHEMBL3260810)
Show SMILES Cc1ccc(Cl)cc1-n1c(nc(C(O)=O)c1-c1cccc(Cl)c1)-c1ccccc1 |(21.82,-8.31,;23.13,-9.13,;23.07,-10.66,;24.38,-11.48,;25.74,-10.75,;27.05,-11.57,;25.79,-9.22,;24.49,-8.41,;24.55,-6.87,;25.82,-6.01,;25.4,-4.53,;23.86,-4.48,;22.99,-3.2,;23.67,-1.81,;21.46,-3.31,;23.33,-5.92,;21.8,-5.92,;21.03,-7.24,;19.49,-7.24,;18.72,-5.9,;19.5,-4.57,;18.73,-3.23,;21.04,-4.58,;27.27,-6.54,;27.53,-8.06,;28.98,-8.59,;30.16,-7.6,;29.89,-6.08,;28.44,-5.56,)|
Show InChI InChI=1S/C23H16Cl2N2O2/c1-14-10-11-18(25)13-19(14)27-21(16-8-5-9-17(24)12-16)20(23(28)29)26-22(27)15-6-3-2-4-7-15/h2-13H,1H3,(H,28,29)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
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Similars

Article
PubMed
n/an/a 11n/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