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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 = 'BDBM374756'   
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))		BDBM374756
PNG
(US10246467, Example I-39 | US10919913, # I-39)
Show SMILES CC(C)CCN1[C@H]2COc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C31H27Cl2FN4O4/c1-15(2)10-11-37-24-14-42-28-18-8-6-16(29(39)40)12-22(18)36-38(28)27(24)25(19-4-3-5-21(33)26(19)34)31(37)20-9-7-17(32)13-23(20)35-30(31)41/h3-9,12-13,15,24-25,27H,10-11,14H2,1-2H3,(H,35,41)(H,39,40)/t24-,25-,27+,31+/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 48n/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