Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50512491 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1849380 (CHEMBL4349921) |
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IC50 | >50000±n/a nM |
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Citation | Shaikh, NS; Iyer, JP; Munot, YS; Mukhopadhyay, PP; Raje, AA; Nagaraj, R; Jamdar, V; Gavhane, R; Lohote, M; Sherkar, P; Bala, M; Petla, R; Meru, A; Umrani, D; Rouduri, S; Joshi, S; Reddy, S; Kandikere, V; Bhuniya, D; Kulkarni, B; Mookhtiar, KA Discovery and pharmacological evaluation of indole derivatives as potent and selective ROR?t inverse agonist for multiple autoimmune conditions. Bioorg Med Chem Lett29:2208-2217 (2019) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 1A2 |
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Name: | Cytochrome P450 1A2 |
Synonyms: | CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3 |
Type: | Enzyme |
Mol. Mass.: | 58423.38 |
Organism: | Homo sapiens (Human) |
Description: | P05177 |
Residue: | 516 |
Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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BDBM50512491 |
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n/a |
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Name | BDBM50512491 |
Synonyms: | CHEMBL4556521 |
Type | Small organic molecule |
Emp. Form. | C22H11ClF4N2O3 |
Mol. Mass. | 462.781 |
SMILES | OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 |
Structure |
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