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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 = 'BDBM374735'   
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))		BDBM374735
PNG
(US10246467, Example I-6 | US10919913, # I-6)
Show SMILES OC(=O)c1ccc2nn3[C@H]4[C@@H](COc3c2c1)N(CC1CC1)[C@@]1([C@@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C30H23Cl2FN4O4/c31-16-7-8-19-22(11-16)34-29(40)30(19)24(17-2-1-3-20(32)25(17)33)26-23(36(30)12-14-4-5-14)13-41-27-18-10-15(28(38)39)6-9-21(18)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,30+/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 619n/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