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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 2C8 | ||
| Ligand | BDBM254001 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Inhibition Assays | ||
| IC50 | 15000±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: |
| ||
| BDBM254001 | |||
| n/a | |||
| Name | BDBM254001 | ||
| Synonyms: | US9481673, (S)-11 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H28N6O | ||
| Mol. Mass. | 500.5936 | ||
| SMILES | CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(C)c2)c(n1)C#Cc1ccccc1 |r,wU:2.2,(-5.01,-4.53,;-6.34,-3.76,;-6.34,-2.22,;-7.68,-1.45,;-5.01,-1.45,;-5.01,.09,;-3.67,-2.22,;-2.34,-1.45,;-2.34,.09,;-1.01,.86,;.33,.09,;1.66,.86,;1.66,2.4,;3.12,2.88,;4.03,1.63,;5.56,1.47,;6.19,.06,;7.68,-.33,;5.28,-1.18,;3.75,-1.02,;3.12,.39,;.57,3.49,;.97,4.98,;-.12,6.07,;-1.61,5.67,;-2.01,4.18,;-3.49,3.78,;-.92,3.09,;.33,-1.45,;-1.01,-2.22,;1.66,-2.22,;2.99,-2.99,;4.33,-3.76,;4.33,-5.3,;5.66,-6.07,;6.99,-5.3,;6.99,-3.76,;5.66,-2.99,)| | ||
| Structure | 
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