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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 = 'BDBM162221'   
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))
BDBM162221
PNG
(US9051279, 204)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC1CCC1)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:37.45,wD:9.9,34.38,(11.96,4.75,;10.62,5.52,;9.29,4.75,;7.96,5.52,;6.62,4.75,;5.29,5.52,;3.96,4.75,;2.62,5.52,;3.96,3.21,;5.29,2.44,;5.29,.9,;3.96,.13,;3.96,-1.41,;5.29,-2.18,;5.29,-3.72,;6.62,-1.41,;6.62,.13,;6.62,3.21,;7.96,2.44,;9.29,3.21,;10.62,2.44,;10.62,.9,;9.53,-.18,;10.62,-1.27,;11.71,-.18,;2.62,2.44,;1.29,3.21,;-.05,2.44,;-.05,.9,;1.29,.13,;2.62,.9,;-1.38,.13,;-1.38,-1.41,;-2.71,.9,;-4.05,.13,;-5.38,.9,;-6.71,.13,;-6.71,-1.41,;-5.38,-2.18,;-4.05,-1.41,;-8.05,-2.18,;-8.05,-3.72,;-9.51,-4.19,;-10.28,-5.52,;-10.42,-2.95,;-11.96,-2.95,;-9.51,-1.7,)|
Show InChI InChI=1/C37H44ClN5O4/c1-40(21-24-7-13-28(14-8-24)42-22-36(45)41(2)23-42)34-16-15-29(20-39-34)43-35(44)18-26-17-32(46-3)33(47-30-5-4-6-30)19-31(26)37(43)25-9-11-27(38)12-10-25/h9-12,15-17,19-20,24,28,30,37H,4-8,13-14,18,21-23H2,1-3H3/t24-,28-,37-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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