| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 11B2, mitochondrial |
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| Ligand | BDBM50444549 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1519253 (CHEMBL3624681) |
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| IC50 | 3.0±n/a nM |
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| Citation |  Martin, RE; Aebi, JD; Hornsperger, B; Krebs, HJ; Kuhn, B; Kuglstatter, A; Alker, AM; Märki, HP; Müller, S; Burger, D; Ottaviani, G; Riboulet, W; Verry, P; Tan, X; Amrein, K; Mayweg, AV Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys. J Med Chem58:8054-65 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 11B2, mitochondrial |
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| Name: | Cytochrome P450 11B2, mitochondrial |
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| Synonyms: | Aldosterone Synthase (CYP11B2) | Aldosterone synthase | Aldosterone-synthesizing enzyme | C11B2_HUMAN | CYP11B2 | CYPXIB2 | Cytochrome P450 11B2 | Cytochrome P450 11B2 (CYP11B2) | Cytochrome P450 11B2, mitochondrial | P-450Aldo | P-450C18 | Steroid 18-hydroxylase |
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| Type: | Protein |
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| Mol. Mass.: | 57582.15 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P19099 |
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| Residue: | 503 |
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| Sequence: | MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQG
YEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYR
QHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNA
RGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFM
PRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELS
LEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATT
ELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRP
ERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQED
IKMVYSFILRPGTSPLLTFRAIN
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| BDBM50444549 |
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| n/a |
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| Name | BDBM50444549 |
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| Synonyms: | CHEMBL3099695 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H10FN3 |
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| Mol. Mass. | 227.237 |
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| SMILES | Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| |
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| Structure | 
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