Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50355405 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_773771 (CHEMBL1840137) |
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IC50 | >75000±n/a nM |
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Citation | Lim, J; Taoka, B; Otte, RD; Spencer, K; Dinsmore, CJ; Altman, MD; Chan, G; Rosenstein, C; Sharma, S; Su, HP; Szewczak, AA; Xu, L; Yin, H; Zugay-Murphy, J; Marshall, CG; Young, JR Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders. J Med Chem54:7334-49 (2011) [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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BDBM50355405 |
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n/a |
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Name | BDBM50355405 |
Synonyms: | CHEMBL1835153 |
Type | Small organic molecule |
Emp. Form. | C21H18F3N7O |
Mol. Mass. | 441.4091 |
SMILES | NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 |r| |
Structure |
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