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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 = 'BDBM135935'   
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))
BDBM135935
PNG
(US8859586, 19)
Show SMILES COc1cc2CC(=O)N(C3CCC(CC3)C(=O)C3CCOCC3)[C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C |wU:23.25,(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;9.34,-5.39,;10.67,-4.62,;9.34,-6.93,;8,-7.7,;8,-9.24,;9.34,-10.01,;10.67,-9.24,;10.67,-7.7,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
Show InChI InChI=1S/C31H38ClNO5/c1-19(2)38-28-18-26-23(16-27(28)36-3)17-29(34)33(30(26)20-4-8-24(32)9-5-20)25-10-6-21(7-11-25)31(35)22-12-14-37-15-13-22/h4-5,8-9,16,18-19,21-22,25,30H,6-7,10-15,17H2,1-3H3/t21?,25?,30-/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 386n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8859586 (2014)


BindingDB Entry DOI: 10.7270/Q2RF5SR6
More data for this
Ligand-Target Pair