Reaction Details | |||
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Report a problem with these data | |||
Target | Cytochrome P450 2C8 | ||
Ligand | BDBM253990 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Inhibition Assays | ||
IC50 | 1700±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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BDBM253990 | |||
n/a | |||
Name | BDBM253990 | ||
Synonyms: | US9481673, 185 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H26N6O | ||
Mol. Mass. | 486.567 | ||
SMILES | CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccccc1 |(-5.03,-4.53,;-6.36,-3.76,;-6.36,-2.22,;-7.7,-1.45,;-5.03,-1.45,;-5.03,.09,;-3.7,-2.22,;-2.36,-1.45,;-2.36,.09,;-1.03,.86,;.3,.09,;1.64,.86,;1.64,2.4,;3.1,2.88,;4.01,1.63,;5.54,1.47,;6.17,.06,;7.7,-.1,;5.26,-1.18,;3.73,-1.02,;3.1,.39,;.55,3.49,;.95,4.98,;-.14,6.07,;-1.63,5.67,;-2.03,4.18,;-.94,3.09,;.3,-1.45,;-1.03,-2.22,;1.64,-2.22,;2.97,-2.99,;4.31,-3.76,;4.31,-5.3,;5.64,-6.07,;6.97,-5.3,;6.97,-3.76,;5.64,-2.99,)| | ||
Structure |