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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 2C8 | ||
| Ligand | BDBM253985 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Inhibition Assays | ||
| IC50 | 300±n/a nM | ||
| Citation |  Reiser, U 6-alkynyl-pyridine derivatives US Patent US9481673 Publication Date 11/1/2016 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cytochrome P450 2C8 | |||
| Name: | Cytochrome P450 2C8 | ||
| Synonyms: | CP2C8_HUMAN | CYP2C8 | CYPIIC8 | Cytochrome P450 2C8 (CYP2C8) | P450 IIC2 | P450 MP-12/MP-20 | P450 form 1 | S-mephenytoin 4-hydroxylase | ||
| Type: | Protein | ||
| Mol. Mass.: | 55839.23 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P10632 | ||
| Residue: | 490 | ||
| Sequence: |
| ||
| BDBM253985 | |||
| n/a | |||
| Name | BDBM253985 | ||
| Synonyms: | US9481673, 27 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C33H27N7O | ||
| Mol. Mass. | 537.6138 | ||
| SMILES | CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2ncccc2c1 |(-6,-4.53,;-7.34,-3.76,;-7.34,-2.22,;-8.67,-1.45,;-6,-1.45,;-6,.09,;-4.67,-2.22,;-3.33,-1.45,;-3.33,.09,;-2,.86,;-.67,.09,;.67,.86,;.67,2.4,;2.13,2.88,;3.04,1.63,;4.57,1.47,;5.19,.06,;6.73,-.1,;4.29,-1.18,;2.76,-1.02,;2.13,.39,;-.42,3.49,;-.02,4.98,;-1.11,6.07,;-2.6,5.67,;-3,4.18,;-1.91,3.09,;-.67,-1.45,;-2,-2.22,;.67,-2.22,;2,-2.99,;3.33,-3.76,;3.33,-5.3,;4.67,-6.07,;6,-5.3,;7.34,-6.07,;8.67,-5.3,;8.67,-3.76,;7.34,-2.99,;6,-3.76,;4.67,-2.99,)| | ||
| Structure | 
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