Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM368542 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2012350 (CHEMBL4665928) |
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IC50 | 13000±n/a nM |
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Citation | Panarese, JD; Engers, DW; Wu, YJ; Guernon, JM; Chun, A; Gregro, AR; Bender, AM; Capstick, RA; Wieting, JM; Bronson, JJ; Macor, JE; Westphal, R; Soars, M; Engers, JE; Felts, AS; Rodriguez, AL; Emmitte, KA; Jones, CK; Blobaum, AL; Conn, PJ; Niswender, CM; Hopkins, CR; Lindsley, CW The discovery of VU0652957 (VU2957, Valiglurax): SAR and DMPK challenges en route to an mGlu Bioorg Med Chem Lett29:342-346 (2019) [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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BDBM368542 |
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n/a |
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Name | BDBM368542 |
Synonyms: | 1-(1H-pyrazol-1-yl)-N- (1H- pyrazolo[4,3-b]pyridin-3- yl)isoquinolin-6-amine | US10227343, Example 74 |
Type | Small organic molecule |
Emp. Form. | C18H13N7 |
Mol. Mass. | 327.3427 |
SMILES | N(c1n[nH]c2cccnc12)c1ccc2c(nccc2c1)-n1cccn1 |
Structure |
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