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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 1A2 | ||
| Ligand | BDBM50305083 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | CYP Enzyme Inhibition Assay | ||
| pH | 7.4±n/a | ||
| Temperature | 310.15±n/a K | ||
| IC50 | 17530±n/a nM | ||
| Comments | extracted | ||
| Citation |  Li, Y; Prakash, SR; Xia, CQ; Liao, MM Inhibitor of breast cancer resistance protein (BCRP) US Patent US9695174 Publication Date 7/4/2017 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cytochrome P450 1A2 | |||
| 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: |
| ||
| BDBM50305083 | |||
| n/a | |||
| Name | BDBM50305083 | ||
| Synonyms: | 3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester | 3-((3S,6S,12aS)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester | CHEMBL488910 | Ko-143 | Ko143 | US9695174, Ko143 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H35N3O5 | ||
| Mol. Mass. | 469.5732 | ||
| SMILES | COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r| | ||
| Structure | 
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