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Target
E3 ubiquitin-protein ligase Mdm2
Ligand
BDBM50339363
Substrate
n/a
Meas. Tech.
ChEMBL_736488 (CHEMBL1694433)
IC50
580±n/a nM
Citation
 Hardcastle, IR; Liu, J; Valeur, E; Watson, A; Ahmed, SU; Blackburn, TJ; Bennaceur, K; Clegg, W; Drummond, C; Endicott, JA; Golding, BT; Griffin, RJ; Gruber, J; Haggerty, K; Harrington, RW; Hutton, C; Kemp, S; Lu, X; McDonnell, JM; Newell, DR; Noble, ME; Payne, SL; Revill, CH; Riedinger, C; Xu, Q; Lunec, J Isoindolinone inhibitors of the murine double minute 2 (MDM2)-p53 protein-protein interaction: structure-activity studies leading to improved potency. J Med Chem 54:1233-43 (2011) [PubMed]  Article 
Target
Name:
E3 ubiquitin-protein ligase Mdm2
Synonyms:
Double minute 2 protein | Double minute 2 protein (HDM2) | E3 ubiquitin-protein ligase Mdm2 (p53-binding protein Mdm2) | Hdm2 | Human Double Minute 2 (HDM2) | MDM2 | MDM2-MDMX | MDM2_HUMAN | p53-Binding Protein MDM2 | p53-binding protein
Type:
Oncoprotein
Mol. Mass.:
55196.54
Organism:
Homo sapiens (Human)
Description:
Q00987
Residue:
491
Sequence:
MCNTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGTSVSENRCHLEGGSDQKDLVQELQEEKPSSSHLVSRPSTSSRRRAISETEENSDELSGERQRKRHKSDSISLSFDESLALCVIREICCERSSSSESTGTPSNPDLDAGVSEHSGDWLDQDSVSDQFSVEFEVESLDSEDYSLSEEGQELSDEDDEVYQVTVYQAGESDTDSFEEDPEISLADYWKCTSCNEMNPPLPSHCNRCWALRENWLPEDKGKDKGEISEKAKLENSTQAEEGFDVPDCKKTIVNDSRESCVEENDDKITQASQSQESEDYSQPSTSSSIIYSSQEDVKEFEREETQDKEESVESSLPLNAIEPCVICQGRPKNGCIVHGKTGHLMACFTCAKKLKKRNKPCPVCRQPIQMIVLTYFP
  
Inhibitor
Name:
BDBM50339363
Synonyms:
(+/-)-trans-3-(4-Chlorophenyl)-3-(4-hydroxymethylcyclohexylmethoxy)-2-(4-nitrobenzyl)-2,3-dihydroisoindol-1-one | CHEMBL1688268
Type:
Small organic molecule
Emp. Form.:
C29H29ClN2O5
Mol. Mass.:
521.004
SMILES:
OC[C@H]1CC[C@H](COC2(N(Cc3ccc(cc3)[N+]([O-])=O)C(=O)c3ccccc23)c2ccc(Cl)cc2)CC1 |r,wU:5.5,wD:2.1,(-7.05,-6.08,;-8.14,-7.17,;-7.74,-8.66,;-8.83,-9.76,;-8.42,-11.24,;-6.94,-11.63,;-6.54,-13.11,;-5.05,-13.51,;-4.65,-15,;-3.74,-16.26,;-2.2,-16.26,;-1.43,-17.59,;-2.2,-18.92,;-1.43,-20.25,;.11,-20.25,;.88,-18.91,;.11,-17.58,;.89,-21.59,;.12,-22.93,;2.43,-21.59,;-4.65,-17.51,;-4.17,-18.98,;-6.12,-17.03,;-7.45,-17.8,;-8.79,-17.03,;-8.78,-15.49,;-7.46,-14.72,;-6.12,-15.48,;-3.33,-14.21,;-1.98,-14.96,;-.66,-14.17,;-.69,-12.63,;.63,-11.84,;-2.04,-11.88,;-3.36,-12.68,;-5.85,-10.54,;-6.25,-9.06,)|
Structure:
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