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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 = 'BDBM162122'   
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))
BDBM162122
PNG
(US9051279, 105)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.11,1.23,;6.77,2,;5.44,1.23,;4.1,2,;2.77,1.23,;1.44,2,;.1,1.23,;-1.23,2,;.1,-.31,;1.44,-1.08,;1.44,-2.62,;.1,-3.39,;.1,-4.93,;1.44,-5.7,;1.44,-7.24,;2.77,-4.93,;2.77,-3.39,;2.77,-.31,;4.1,-1.08,;5.44,-.31,;6.77,-1.08,;6.77,-2.62,;8.11,-3.39,;5.44,-3.39,;-1.23,-1.08,;-2.56,-.31,;-3.9,-1.08,;-3.9,-2.62,;-2.56,-3.39,;-1.23,-2.62,;-5.23,-3.39,;-5.23,-4.93,;-6.57,-2.62,;-6.57,-1.08,;-7.9,-.31,;-7.9,1.23,;-6.57,2,;-5.23,1.23,;-5.23,-.31,;-6.57,3.54,;-5.32,4.44,;-5.8,5.91,;-5.03,7.24,;-7.34,5.91,;-8.11,7.24,;-7.81,4.44,)|
Show InChI InChI=1/C37H45ClN4O4/c1-24(2)46-34-20-32-27(18-33(34)45-5)19-35(43)42(37(32)26-8-10-28(38)11-9-26)31-16-14-29(15-17-31)39(3)21-25-6-12-30(13-7-25)41-22-36(44)40(4)23-41/h8-11,14-18,20,24-25,30,37H,6-7,12-13,19,21-23H2,1-5H3/t25-,30-,37-/s2
PDB
MMDB

NCI pathway
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KEGG

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/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