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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 = 'BDBM162165'   
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))
BDBM162165
PNG
(US9051279, 148)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C(C)C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6.87,2.87,;6.87,1.33,;5.54,.56,;4.21,1.33,;2.87,.56,;1.54,1.33,;.21,.56,;-1.13,1.33,;.21,-.98,;1.54,-1.75,;1.54,-3.29,;.21,-4.06,;.21,-5.6,;1.54,-6.37,;1.54,-7.91,;2.87,-5.6,;2.87,-4.06,;2.87,-.98,;4.21,-1.75,;5.54,-.98,;6.87,-1.75,;8.21,-.98,;9.54,-1.75,;8.21,.56,;-1.13,-1.75,;-1.13,-3.29,;-2.46,-4.06,;-3.79,-3.29,;-3.79,-1.75,;-2.46,-.98,;-5.13,-4.06,;-5.13,-5.6,;-6.46,-3.29,;-6.46,-1.75,;-5.13,-.98,;-5.13,.56,;-6.46,1.33,;-7.8,.56,;-7.8,-.98,;-6.46,2.87,;-7.71,3.78,;-7.23,5.24,;-8,6.57,;-7.23,7.91,;-9.54,6.57,;-5.69,5.24,;-4.92,6.57,;-5.22,3.78,)|
Show InChI InChI=1/C38H48ClN5O4/c1-24(2)43-23-42(22-37(43)46)30-13-7-26(8-14-30)21-41(5)31-15-16-35(40-20-31)44-36(45)18-28-17-33(47-6)34(48-25(3)4)19-32(28)38(44)27-9-11-29(39)12-10-27/h9-12,15-17,19-20,24-26,30,38H,7-8,13-14,18,21-23H2,1-6H3/t26-,30-,38-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/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