| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 4B1 |
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| Ligand | BDBM50244440 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1989050 (CHEMBL4622597) |
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| IC50 | >10000±n/a nM |
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| Citation |  Crawford, JJ; Lee, W; Johnson, AR; Delatorre, KJ; Chen, J; Eigenbrot, C; Heidmann, J; Kakiuchi-Kiyota, S; Katewa, A; Kiefer, JR; Liu, L; Lubach, JW; Misner, D; Purkey, H; Reif, K; Vogt, J; Wong, H; Yu, C; Young, WB Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. ACS Med Chem Lett11:1588-1597 (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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| BDBM50244440 |
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| n/a |
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| Name | BDBM50244440 |
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| Synonyms: | CHEMBL4065122 |
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| Type | Small organic molecule |
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| Emp. Form. | C37H44N8O4 |
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| Mol. Mass. | 664.7965 |
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| SMILES | C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| |
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| Structure | 
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