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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 = 'BDBM162064'   
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))
BDBM162064
PNG
(US9051279, 77)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NS(C)(=O)=O |r,wU:36.43,wD:9.9,33.36,(6.67,4.34,;6.67,2.8,;5.33,2.03,;4,2.8,;2.67,2.03,;1.33,2.8,;,2.03,;-1.33,2.8,;,.49,;1.33,-.28,;1.33,-1.82,;,-2.59,;,-4.13,;1.33,-4.9,;1.33,-6.44,;2.67,-4.13,;2.67,-2.59,;2.67,.49,;4,-.28,;5.33,.49,;6.67,-.28,;8,.49,;9.34,-.28,;8,2.03,;-1.33,-.28,;-1.33,-1.82,;-2.67,-2.59,;-4,-1.82,;-4,-.28,;-2.67,.49,;-5.33,-2.59,;-5.33,-4.13,;-6.67,-1.82,;-6.67,-.28,;-5.33,.49,;-5.33,2.03,;-6.67,2.8,;-8,2.03,;-8,.49,;-6.67,4.34,;-8,5.11,;-9.34,4.34,;-8.77,6.44,;-7.23,6.44,)|
Show InChI InChI=1S/C34H42ClN3O5S/c1-22(2)43-32-20-30-25(18-31(32)42-4)19-33(39)38(34(30)24-8-10-26(35)11-9-24)29-16-14-28(15-17-29)37(3)21-23-6-12-27(13-7-23)36-44(5,40)41/h8-11,14-18,20,22-23,27,34,36H,6-7,12-13,19,21H2,1-5H3/t23-,27-,34-/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.60n/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