Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM592070 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2188254 (CHEMBL5100336) |
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IC50 | >25000±n/a nM |
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Citation | Shvartsbart, A; Roach, JJ; Witten, MR; Koblish, H; Harris, JJ; Covington, M; Hess, R; Lin, L; Frascella, M; Truong, L; Leffet, L; Conlen, P; Beshad, E; Klabe, R; Katiyar, K; Kaldon, L; Young-Sciame, R; He, X; Petusky, S; Chen, KJ; Horsey, A; Lei, HT; Epling, LB; Deller, MC; Vechorkin, O; Yao, W Discovery of Potent and Selective Inhibitors of Wild-Type and Gatekeeper Mutant Fibroblast Growth Factor Receptor (FGFR) 2/3. J Med Chem65:15433-15442 (2022) [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 |
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 |
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
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BDBM592070 |
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n/a |
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Name | BDBM592070 |
Synonyms: | US11566028, Example 63 | US11566028, Example 9 |
Type | Small organic molecule |
Emp. Form. | C23H25N7O3 |
Mol. Mass. | 447.4897 |
SMILES | CNC(=O)c1cncc(c1)-c1cnn2cc(-c3cnn(c3)C(C)C)c(O[C@H]3CCOC3)nc12 |r| |
Structure |
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