Reaction Details |
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Target | Cytochrome P450 11B1, mitochondrial |
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Ligand | BDBM25456 |
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Substrate/Competitor | BDBM8582 |
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Meas. Tech. | CYP17 Inhibition Assay |
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IC50 | 2135±n/a nM |
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Citation | Pinto-Bazurco Mendieta, MA; Negri, M; Jagusch, C; Müller-Vieira, U; Lauterbach, T; Hartmann, RW Synthesis, biological evaluation, and molecular modeling of abiraterone analogues: novel CYP17 inhibitors for the treatment of prostate cancer. J Med Chem51:5009-18 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Cytochrome P450 11B1, mitochondrial |
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Name: | Cytochrome P450 11B1, mitochondrial |
Synonyms: | C11B1_HUMAN | CYP11B1 | CYPXIB1 | Cytochrome P450 11B, mitochondrial precursor | Cytochrome P450 11B1 | Cytochrome P450 11B1 (CYP11B1) | Cytochrome P450 11B1, mitochondrial | S11BH |
Type: | Enzyme |
Mol. Mass.: | 57591.44 |
Organism: | Homo sapiens (Human) |
Description: | P15538 |
Residue: | 503 |
Sequence: | MALRAKAEVCMAVPWLSLQRAQALGTRAARVPRTVLPFEAMPRRPGNRWLRLLQIWREQG
YEDLHLEVHQTFQELGPIFRYDLGGAGMVCVMLPEDVEKLQQVDSLHPHRMSLEPWVAYR
QHRGHKCGVFLLNGPEWRFNRLRLNPEVLSPNAVQRFLPMVDAVARDFSQALKKKVLQNA
RGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFM
PRSLSRWTSPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFSRPQQYTSIVAELLLNAELS
PDAIKANSMELTAGSVDTTVFPLLMTLFELARNPNVQQALRQESLAAAASISEHPQKATT
ELPLLRAALKETLRLYPVGLFLERVASSDLVLQNYHIPAGTLVRVFLYSLGRNPALFPRP
ERYNPQRWLDIRGSGRNFYHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHLQVETLTQED
IKMVYSFILRPSMFPLLTFRAIN
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BDBM25456 |
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BDBM8582 |
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Name | BDBM25456 |
Synonyms: | 4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzene-1,2-diol | Abiraterone mimetic, 19 |
Type | Small organic molecule |
Emp. Form. | C21H19NO2 |
Mol. Mass. | 317.3811 |
SMILES | Oc1ccc(cc1O)-c1ccc2C(CCCc2c1)c1ccncc1 |
Structure |
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