Reaction Details |
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Target | Cytochrome P450 11B2, mitochondrial |
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Ligand | BDBM50541754 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1985336 (CHEMBL4618742) |
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IC50 | 277±n/a nM |
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Citation | Liu, Y; Wu, J; Zhou, M; Chen, W; Li, D; Wang, Z; Hornsperger, B; Aebi, JD; Märki, HP; Kuhn, B; Wang, L; Kuglstatter, A; Benz, J; Müller, S; Hochstrasser, R; Ottaviani, G; Xin, J; Kirchner, S; Mohr, S; Verry, P; Riboulet, W; Shen, HC; Mayweg, AV; Amrein, K; Tan, X Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J Med Chem63:6876-6897 (2020) [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 |
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 |
Type: | Protein |
Mol. Mass.: | 57582.15 |
Organism: | Homo sapiens (Human) |
Description: | P19099 |
Residue: | 503 |
Sequence: | MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQG
YEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYR
QHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNA
RGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFM
PRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELS
LEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATT
ELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRP
ERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQED
IKMVYSFILRPGTSPLLTFRAIN
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BDBM50541754 |
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n/a |
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Name | BDBM50541754 |
Synonyms: | CHEMBL4648602 |
Type | Small organic molecule |
Emp. Form. | C13H11ClN2O |
Mol. Mass. | 246.692 |
SMILES | Cc1cc(Cl)ccc1C(=O)Nc1cccnc1 |
Structure |
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