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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cellular tumor antigen p53 [16-27]/E3 ubiquitin-protein ligase Mdm2 [23-117]' and Ligand = 'BDBM374772'   
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
Cellular tumor antigen p53 [16-27]/E3 ubiquitin-protein ligase Mdm2 [23-117]


(Homo sapiens (Human))		BDBM374772
PNG
(US10246467, Example I-69 | US10919913, # I-69)
Show SMILES CCOc1cccc(CN2[C@@H]3COc4n(nc5cc(ccc45)C(O)=O)[C@@H]3[C@@H](c3cccc(Cl)c3F)[C@@]22C(=O)Nc3cc(Cl)ccc23)c1 |r|
Show InChI InChI=1S/C35H27Cl2FN4O5/c1-2-46-21-6-3-5-18(13-21)16-41-28-17-47-32-22-11-9-19(33(43)44)14-26(22)40-42(32)31(28)29(23-7-4-8-25(37)30(23)38)35(41)24-12-10-20(36)15-27(24)39-34(35)45/h3-15,28-29,31H,2,16-17H2,1H3,(H,39,45)(H,43,44)/t28-,29-,31+,35+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.14E+3n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2VX0JT2
More data for this
Ligand-Target Pair