| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 4B1 |
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| Ligand | BDBM413450 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1901744 (CHEMBL4403966) |
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| IC50 | >30000±n/a nM |
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| Citation |  Goldberg, FW; Finlay, MRV; Ting, AKT; Beattie, D; Lamont, GM; Fallan, C; Wrigley, GL; Schimpl, M; Howard, MR; Williamson, B; Vazquez-Chantada, M; Barratt, DG; Davies, BR; Cadogan, EB; Ramos-Montoya, A; Dean, E The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5- J Med Chem63:3461-3471 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 4B1 |
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| Name: | Cytochrome P450 4B1 |
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| Synonyms: | 1.14.14.1 | CP4B1_HUMAN | CYP4B1 | CYPIVB1 | Cytochrome P450 4B1 | Cytochrome P450-HP |
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| Type: | PROTEIN |
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| Mol. Mass.: | 59005.59 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_119703 |
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| Residue: | 511 |
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| Sequence: | MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALE
IQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQ
WIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDI
FCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLT
PHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKL
SDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDL
GKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWP
DPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDP
SRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK
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| BDBM413450 |
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| n/a |
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| Name | BDBM413450 |
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| Synonyms: | 7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one | US10407446, Example 3 | US11136340, Example 3 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H20N8O2 |
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| Mol. Mass. | 380.4038 |
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| SMILES | Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 |
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| Structure | 
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