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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 = 'BDBM374761'   
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))		BDBM374761
PNG
(US10246467, Example I-49 | US10919913, # I-49)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CCCC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1 |r|
Show InChI InChI=1S/C32H27Cl2FN4O4/c33-18-9-11-21-24(13-18)36-31(42)32(21)26(20-6-3-7-22(34)27(20)35)28-25(38(32)14-16-4-1-2-5-16)15-43-29-19-10-8-17(30(40)41)12-23(19)37-39(28)29/h3,6-13,16,25-26,28H,1-2,4-5,14-15H2,(H,36,42)(H,40,41)/t25-,26-,28+,32+/m0/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 37n/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