Ki Summary

Reaction Details

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Target

Cytochrome P450 3A4

Ligand

BDBM162157

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

BDBM162157

n/a

Name

BDBM162157

Synonyms:

US9051279, 140

Type

Small organic molecule

Emp. Form.

C36H45ClN6O4

Mol. Mass.

661.233

SMILES

COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1cnc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(12,4.23,;10.67,5,;9.34,4.23,;8,5,;6.67,4.23,;5.33,5,;4,4.23,;2.67,5,;4,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;4,-1.93,;5.33,-2.69,;5.33,-4.23,;6.67,-1.93,;6.67,-.38,;6.67,2.69,;8,1.93,;9.34,2.69,;10.67,1.93,;10.67,.38,;12,-.38,;9.34,-.38,;2.67,1.93,;2.67,.38,;1.33,-.38,;,.38,;,1.93,;1.33,2.69,;-1.33,-.38,;-1.33,-1.93,;-2.67,.38,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-8,-2.69,;-8,-4.23,;-9.34,-5,;-10.67,-4.23,;-12,-5,;-10.67,-2.69,;-12,-1.93,;-9.34,-1.93,)|

Structure