Ki Summary

Reaction Details

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Target

Cytochrome P450 3A4

Ligand

BDBM162142

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1509544 (CHEMBL3602291)

IC50

>20000±n/a nM

Citation

Holzer, P; Masuya, K; Furet, P; Kallen, J; Valat-Stachyra, T; Ferretti, S; Berghausen, J; Bouisset-Leonard, M; Buschmann, N; Pissot-Soldermann, C; Rynn, C; Ruetz, S; Stutz, S; Ch�ne, P; Jeay, S; Gessier, F Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem58:6348-58 (2015) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cytochrome P450 3A4

Name:

Cytochrome P450 3A4

Synonyms:

Type:

Enzyme

Mol. Mass.:

57349.57

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

503

Sequence:

MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA

BDBM162142

n/a

Name

BDBM162142

Synonyms:

US9051279, 125

Type

Small organic molecule

Emp. Form.

C37H46ClN5O4

Mol. Mass.

660.245

SMILES

COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6,3.08,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;.67,1.54,;-.67,.77,;-2,1.54,;-.67,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-.67,-5.39,;.67,-6.16,;.67,-7.7,;2,-5.39,;2,-3.85,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;-2,-1.54,;-2,-3.08,;-3.33,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-3.33,-.77,;-6,-3.85,;-6,-5.39,;-7.34,-3.08,;-7.34,-1.54,;-6,-.77,;-6,.77,;-7.34,1.54,;-8.67,.77,;-8.67,-.77,;-7.34,3.08,;-8.67,3.85,;-8.67,5.39,;-7.34,6.16,;-7.34,7.7,;-6,5.39,;-4.67,6.16,;-6,3.85,)|

Structure