Reaction Details | |||
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Report a problem with these data | |||
Target | Cytochrome P450 2C8 | ||
Ligand | BDBM253988 | ||
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: |
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BDBM253988 | |||
n/a | |||
Name | BDBM253988 | ||
Synonyms: | US9481673, 82 | ||
Type | Small organic molecule | ||
Emp. Form. | C33H27N7O2 | ||
Mol. Mass. | 553.6132 | ||
SMILES | CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc(cc1)-c1ccon1 |(-6.52,-3.52,;-7.85,-2.75,;-7.85,-1.21,;-9.19,-.44,;-6.52,-.44,;-6.52,1.1,;-5.19,-1.21,;-3.85,-.44,;-3.85,1.1,;-2.52,1.87,;-1.18,1.1,;.15,1.87,;.15,3.41,;1.61,3.89,;2.52,2.64,;4.05,2.48,;4.68,1.07,;6.21,.91,;3.77,-.17,;2.24,-.01,;1.61,1.39,;-.94,4.5,;-.54,5.99,;-1.63,7.08,;-3.12,6.68,;-3.52,5.19,;-2.43,4.1,;-1.18,-.44,;-2.52,-1.21,;.15,-1.21,;1.48,-1.98,;2.82,-2.75,;2.82,-4.29,;4.15,-5.06,;5.48,-4.29,;5.48,-2.75,;4.15,-1.98,;6.82,-5.06,;6.82,-6.6,;8.28,-7.08,;9.19,-5.83,;8.28,-4.58,)| | ||
Structure |