Reaction Details |
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Target | Cytochrome P450 11B1, mitochondrial |
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Ligand | BDBM25458 |
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Substrate/Competitor | BDBM8582 |
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Meas. Tech. | CYP11B1 Inhibition Assay |
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IC50 | 1608±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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BDBM25458 |
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BDBM8582 |
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Name | BDBM25458 |
Synonyms: | (1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-ol | ABT | Abiraterone | CB 7598 | CHEMBL254328 | US9487554, Abiraterone | US9611270, Example 5, abiraterone |
Type | steroidal compound |
Emp. Form. | C24H31NO |
Mol. Mass. | 349.509 |
SMILES | [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| |
Structure |
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