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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 = 'BDBM162074'   
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))
BDBM162074
PNG
(US9051279, 82)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CC(=O)NCC1=O |r,wU:36.43,wD:9.9,33.36,(6.67,3.85,;6.67,2.31,;5.34,1.54,;4,2.31,;2.67,1.54,;1.34,2.31,;0,1.54,;-1.33,2.31,;0,,;1.34,-.77,;1.34,-2.31,;0,-3.08,;0,-4.62,;1.34,-5.39,;1.34,-6.93,;2.67,-4.62,;2.67,-3.08,;2.67,,;4,-.77,;5.34,,;6.67,-.77,;8,,;9.34,-.77,;8,1.54,;-1.33,-.77,;-2.67,,;-4,-.77,;-4,-2.31,;-2.67,-3.08,;-1.33,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-2.31,;-6.67,-.77,;-5.33,,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-8,,;-6.67,3.85,;-7.98,4.62,;-8,6.16,;-9.34,6.92,;-6.67,6.93,;-5.33,6.16,;-5.33,4.62,;-4,3.85,)|
Show InChI InChI=1/C37H43ClN4O5/c1-23(2)47-33-19-31-26(17-32(33)46-4)18-35(44)42(37(31)25-7-9-27(38)10-8-25)30-15-13-28(14-16-30)40(3)21-24-5-11-29(12-6-24)41-22-34(43)39-20-36(41)45/h7-10,13-17,19,23-24,29,37H,5-6,11-12,18,20-22H2,1-4H3,(H,39,43)/t24-,29-,37-/s2
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.30n/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