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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 = 'BDBM162120'   
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))
BDBM162120
PNG
(US9051279, 103)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1OC)N(C)C[C@H]1CC[C@@H](CC1)N1CCNC(=O)C1 |r,wU:35.38,wD:9.9,38.45,(8.67,1.54,;7.34,2.31,;6,1.54,;4.67,2.31,;3.33,1.54,;2,2.31,;.67,1.54,;-.67,2.31,;.67,,;2,-.77,;2,-2.31,;.67,-3.08,;.67,-4.62,;2,-5.39,;2,-6.93,;3.33,-4.62,;3.33,-3.08,;3.33,,;4.67,-.77,;6,,;7.34,-.77,;7.34,-2.31,;8.67,-3.08,;6,-3.08,;-.67,-.77,;-.67,-2.31,;-2,-3.08,;-3.33,-2.31,;-3.33,-.77,;-2,,;-2,1.54,;-3.33,2.31,;-4.67,-3.08,;-4.67,-4.62,;-6,-2.31,;-6,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,3.85,;-4.67,4.62,;-4.67,6.16,;-6,6.93,;-7.34,6.16,;-8.67,6.93,;-7.34,4.62,)|
Show InChI InChI=1/C38H47ClN4O5/c1-24(2)48-35-21-31-27(18-34(35)47-5)19-37(45)43(38(31)26-8-10-28(39)11-9-26)32-15-14-30(20-33(32)46-4)41(3)22-25-6-12-29(13-7-25)42-17-16-40-36(44)23-42/h8-11,14-15,18,20-21,24-25,29,38H,6-7,12-13,16-17,19,22-23H2,1-5H3,(H,40,44)/t25-,29-,38-/s2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair