Ki Summary

Reaction Details

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Target

E3 ubiquitin-protein ligase Mdm2

Ligand

BDBM162222

Substrate/Competitor

n/a

Meas. Tech.

Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay

IC50

3.8±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

BDBM162222

n/a

Name

BDBM162222

Synonyms:

US9051279, 205

Type

Small organic molecule

Emp. Form.

C38H46ClN5O5

Mol. Mass.

688.255

SMILES

COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OCC1CCCO1)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:39.47,wD:9.9,36.40,(10.77,4.75,;9.44,5.52,;8.11,4.75,;6.77,5.52,;5.44,4.75,;4.1,5.52,;2.77,4.75,;1.44,5.52,;2.77,3.21,;4.1,2.44,;4.1,.9,;2.77,.13,;2.77,-1.41,;4.1,-2.18,;4.1,-3.72,;5.44,-1.41,;5.44,.13,;5.44,3.21,;6.77,2.44,;8.11,3.21,;9.44,2.44,;9.44,.9,;10.77,.13,;12.24,.61,;13.14,-.64,;12.24,-1.88,;10.77,-1.41,;1.44,2.44,;.1,3.21,;-1.23,2.44,;-1.23,.9,;.1,.13,;1.44,.9,;-2.56,.13,;-2.56,-1.41,;-3.9,.9,;-5.23,.13,;-6.57,.9,;-7.9,.13,;-7.9,-1.41,;-6.57,-2.18,;-5.23,-1.41,;-9.23,-2.18,;-9.23,-3.72,;-10.7,-4.19,;-11.47,-5.52,;-11.6,-2.95,;-13.14,-2.95,;-10.7,-1.7,)|

Structure