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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 2C8 | ||
| Ligand | BDBM253987 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Inhibition Assays | ||
| IC50 | 1200±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: |
| ||
| BDBM253987 | |||
| n/a | |||
| Name | BDBM253987 | ||
| Synonyms: | US9481673, 81 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H29N7O2 | ||
| Mol. Mass. | 567.6398 | ||
| SMILES | CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |(-6.67,-3.76,;-8,-2.99,;-8,-1.45,;-9.34,-.68,;-6.67,-.68,;-6.67,.86,;-5.33,-1.45,;-4,-.68,;-4,.86,;-2.67,1.63,;-1.33,.86,;,1.63,;,3.17,;1.46,3.65,;2.37,2.4,;3.9,2.24,;4.53,.83,;6.06,.67,;3.62,-.41,;2.09,-.25,;1.46,1.16,;-1.09,4.26,;-.69,5.75,;-1.78,6.84,;-3.27,6.44,;-3.67,4.95,;-2.58,3.86,;-1.33,-.68,;-2.67,-1.45,;,-1.45,;1.33,-2.22,;2.67,-2.99,;2.67,-4.53,;4,-5.3,;5.33,-4.53,;6.67,-5.3,;6.67,-6.84,;8,-4.53,;9.34,-5.3,;8,-2.99,;6.67,-2.22,;5.33,-2.99,;4,-2.22,)| | ||
| Structure | 
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