| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50572808 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2118301 (CHEMBL4827367) |
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| IC50 | 26000±n/a nM |
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| Citation |  Liang, J; Zbieg, JR; Blake, RA; Chang, JH; Daly, S; DiPasquale, AG; Friedman, LS; Gelzleichter, T; Gill, M; Giltnane, JM; Goodacre, S; Guan, J; Hartman, SJ; Ingalla, ER; Kategaya, L; Kiefer, JR; Kleinheinz, T; Labadie, SS; Lai, T; Li, J; Liao, J; Liu, Z; Mody, V; McLean, N; Metcalfe, C; Nannini, MA; Oeh, J; O'Rourke, MG; Ortwine, DF; Ran, Y; Ray, NC; Roussel, F; Sambrone, A; Sampath, D; Schutt, LK; Vinogradova, M; Wai, J; Wang, T; Wertz, IE; White, JR; Yeap, SK; Young, A; Zhang, B; Zheng, X; Zhou, W; Zhong, Y; Wang, X GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer. J Med Chem64:11841-11856 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A4 |
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| Name: | Cytochrome P450 3A4 |
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| Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50572808 |
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| n/a |
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| Name | BDBM50572808 |
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| Synonyms: | Gdc-9545 | Giredestrant | RO-7197597 | RO7197597 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H31F5N4O |
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| Mol. Mass. | 522.5533 |
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| SMILES | C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| |
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| Structure | 
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