Reaction Details | |||
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Report a problem with these data | |||
Target | Cytochrome P450 2C8 | ||
Ligand | BDBM253986 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Inhibition Assays | ||
IC50 | 500±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: |
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BDBM253986 | |||
n/a | |||
Name | BDBM253986 | ||
Synonyms: | US9481673, 64 | ||
Type | Small organic molecule | ||
Emp. Form. | C34H29N7O | ||
Mol. Mass. | 551.6404 | ||
SMILES | CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2nc(C)ccc2c1 |(-6.67,-4.53,;-8,-3.76,;-8,-2.22,;-9.34,-1.45,;-6.67,-1.45,;-6.67,.09,;-5.33,-2.22,;-4,-1.45,;-4,.09,;-2.67,.86,;-1.33,.09,;,.86,;,2.4,;1.46,2.88,;2.37,1.63,;3.9,1.47,;4.53,.06,;6.06,-.1,;3.62,-1.18,;2.09,-1.02,;1.46,.39,;-1.09,3.49,;-.69,4.98,;-1.78,6.07,;-3.27,5.67,;-3.67,4.18,;-2.58,3.09,;-1.33,-1.45,;-2.67,-2.22,;,-2.22,;1.33,-2.99,;2.67,-3.76,;2.67,-5.3,;4,-6.07,;5.33,-5.3,;6.67,-6.07,;8,-5.3,;9.34,-6.07,;8,-3.76,;6.67,-2.99,;5.33,-3.76,;4,-2.99,)| | ||
Structure |