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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 = 'BDBM162147'   
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))
BDBM162147
PNG
(US9051279, 130)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(12,5,;10.67,5.78,;9.34,5,;8,5.78,;6.67,5,;5.33,5.78,;4,5,;2.67,5.78,;4,3.47,;5.33,2.69,;5.33,1.15,;4,.38,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;6.67,-1.15,;6.67,.38,;6.67,3.47,;8,2.69,;9.34,3.47,;10.67,2.69,;10.67,1.15,;12,.38,;9.34,.38,;2.67,2.69,;2.67,1.15,;1.33,.38,;,1.15,;,2.69,;1.33,3.47,;-1.33,.38,;-1.33,-1.15,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-8,-1.93,;-9.34,-1.15,;-10.67,-1.93,;-10.67,-3.47,;-12,-4.23,;-9.34,-4.23,;-9.34,-5.78,;-8,-3.47,)|
Show InChI InChI=1/C37H46ClN5O4/c1-24(2)47-33-20-31-27(18-32(33)46-5)19-35(44)43(37(31)26-8-10-28(38)11-9-26)30-14-15-34(39-21-30)41(4)22-25-6-12-29(13-7-25)42-17-16-40(3)36(45)23-42/h8-11,14-15,18,20-21,24-25,29,37H,6-7,12-13,16-17,19,22-23H2,1-5H3/t25-,29-,37-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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