Ki Summary

Reaction Details

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Target

E3 ubiquitin-protein ligase Mdm2

Ligand

BDBM162122

Substrate/Competitor

n/a

Meas. Tech.

Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay

IC50

1.8±n/a nM

Citation

Berghausen, J; Buschmann, N; Furet, P; Gessier, F; Hergovich Lisztwan, J; Holzer, P; Jacoby, E; Kallen, J; Masuya, K; Pissot Soldermann, C; Ren, H; Stutz, S Substituted isoquinolinones and quinazolinones US Patent US9051279 Publication Date 6/9/2015

More Info.:

Get all data from this article, Assay Method

E3 ubiquitin-protein ligase Mdm2

Name:

E3 ubiquitin-protein ligase Mdm2

Synonyms:

Type:

Oncoprotein

Mol. Mass.:

55196.54

Organism:

Homo sapiens (Human)

Description:

Q00987

Residue:

491

Sequence:

MCNTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQY
IMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGT
SVSENRCHLEGGSDQKDLVQELQEEKPSSSHLVSRPSTSSRRRAISETEENSDELSGERQ
RKRHKSDSISLSFDESLALCVIREICCERSSSSESTGTPSNPDLDAGVSEHSGDWLDQDS
VSDQFSVEFEVESLDSEDYSLSEEGQELSDEDDEVYQVTVYQAGESDTDSFEEDPEISLA
DYWKCTSCNEMNPPLPSHCNRCWALRENWLPEDKGKDKGEISEKAKLENSTQAEEGFDVP
DCKKTIVNDSRESCVEENDDKITQASQSQESEDYSQPSTSSSIIYSSQEDVKEFEREETQ
DKEESVESSLPLNAIEPCVICQGRPKNGCIVHGKTGHLMACFTCAKKLKKRNKPCPVCRQ
PIQMIVLTYFP

BDBM162122

n/a

Name

BDBM162122

Synonyms:

US9051279, 105

Type

Small organic molecule

Emp. Form.

C37H45ClN4O4

Mol. Mass.

645.231

SMILES

COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.11,1.23,;6.77,2,;5.44,1.23,;4.1,2,;2.77,1.23,;1.44,2,;.1,1.23,;-1.23,2,;.1,-.31,;1.44,-1.08,;1.44,-2.62,;.1,-3.39,;.1,-4.93,;1.44,-5.7,;1.44,-7.24,;2.77,-4.93,;2.77,-3.39,;2.77,-.31,;4.1,-1.08,;5.44,-.31,;6.77,-1.08,;6.77,-2.62,;8.11,-3.39,;5.44,-3.39,;-1.23,-1.08,;-2.56,-.31,;-3.9,-1.08,;-3.9,-2.62,;-2.56,-3.39,;-1.23,-2.62,;-5.23,-3.39,;-5.23,-4.93,;-6.57,-2.62,;-6.57,-1.08,;-7.9,-.31,;-7.9,1.23,;-6.57,2,;-5.23,1.23,;-5.23,-.31,;-6.57,3.54,;-5.32,4.44,;-5.8,5.91,;-5.03,7.24,;-7.34,5.91,;-8.11,7.24,;-7.81,4.44,)|

Structure