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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 = 'BDBM374776'   
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))		BDBM374776
PNG
(US10246467, Example I-76 | US10919913, # I-76)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5ccc(F)c(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1 |r|
Show InChI InChI=1S/C30H22Cl2F2N4O4/c31-15-4-7-18-21(10-15)35-29(41)30(18)23(17-6-8-19(33)24(32)25(17)34)26-22(37(30)11-13-1-2-13)12-42-27-16-5-3-14(28(39)40)9-20(16)36-38(26)27/h3-10,13,22-23,26H,1-2,11-12H2,(H,35,41)(H,39,40)/t22-,23-,26+,30+/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 13n/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