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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 = 'BDBM374749'   
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))		BDBM374749
PNG
(US10246467, Example I-31 | US10919913, # I-31)
Show SMILES C[C@@H]1Oc2n(nc3cc(ccc23)C(O)=O)[C@H]2[C@@H]1N(CC1CC1)[C@@]1([C@@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C31H25Cl2FN4O4/c1-14-26-27(38-28(42-14)18-9-7-16(29(39)40)11-22(18)36-38)24(19-3-2-4-21(33)25(19)34)31(37(26)13-15-5-6-15)20-10-8-17(32)12-23(20)35-30(31)41/h2-4,7-12,14-15,24,26-27H,5-6,13H2,1H3,(H,35,41)(H,39,40)/t14-,24+,26+,27+,31-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 100n/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