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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 = 'BDBM162072'   
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))
BDBM162072
PNG
(US9051279, 80)
Show SMILES COC(=O)CN(C)[C@H]1CC[C@H](CN(C)c2ccc(cc2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1 |r,wU:7.6,wD:21.22,10.10,(-3.33,6.16,;-4.67,6.93,;-6,6.16,;-7.34,6.93,;-6,4.62,;-7.34,3.85,;-8.65,4.62,;-7.34,2.31,;-6,1.54,;-6,,;-7.34,-.77,;-7.34,-2.31,;-6,-3.08,;-6,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-2,-.77,;-2,-2.31,;-3.33,-3.08,;-.67,,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-.67,-4.62,;.67,-5.39,;.67,-6.93,;2,-4.62,;2,-3.08,;2,,;3.33,-.77,;4.67,,;6,-.77,;7.34,,;8.67,-.77,;7.34,1.54,;4.67,1.54,;6,2.31,;6,3.85,;3.33,2.31,;2,1.54,;.67,2.31,;-.67,1.54,;-2,2.31,;-8.67,,;-8.67,1.54,)|
Show InChI InChI=1/C37H46ClN3O5/c1-24(2)46-34-21-32-27(19-33(34)44-5)20-35(42)41(37(32)26-9-11-28(38)12-10-26)31-17-15-30(16-18-31)39(3)22-25-7-13-29(14-8-25)40(4)23-36(43)45-6/h9-12,15-19,21,24-25,29,37H,7-8,13-14,20,22-23H2,1-6H3/t25-,29-,37-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/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