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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 = 'BDBM162140'   
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))
BDBM162140
PNG
(US9051279, 123)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)CC1CC[C@@H](CC1)N1CCNC(=O)C1 |r,wU:36.43,wD:9.9,(6,3.85,;6,2.31,;4.67,1.54,;3.33,2.31,;2,1.54,;.67,2.31,;-.67,1.54,;-2,2.31,;-.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,;-2,-.77,;-2,-2.31,;-3.33,-3.08,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-6,-3.08,;-6,-4.62,;-7.34,-2.31,;-7.34,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,3.85,;-8.67,4.62,;-8.67,6.16,;-7.34,6.93,;-6,6.16,;-4.67,6.93,;-6,4.62,)|
Show InChI InChI=1S/C36H44ClN5O4/c1-23(2)46-32-19-30-26(17-31(32)45-4)18-35(44)42(36(30)25-7-9-27(37)10-8-25)33-14-13-29(20-39-33)40(3)21-24-5-11-28(12-6-24)41-16-15-38-34(43)22-41/h7-10,13-14,17,19-20,23-24,28,36H,5-6,11-12,15-16,18,21-22H2,1-4H3,(H,38,43)/t24?,28-,36-/m0/s1
PDB
MMDB

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PC cid
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UniChem

Similars

US Patent
n/an/a 4.70n/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