Reaction Details | |||
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Report a problem with these data | |||
Target | Cytochrome P450 2C8 | ||
Ligand | BDBM155253 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Assessment of CYP Inhibition | ||
IC50 | >100±0.0 nM | ||
Citation | Kuntz, KW; Campbell, JE; Seki, M Substituted benzene compounds US Patent US10098888 Publication Date 10/16/2018 | ||
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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BDBM155253 | |||
n/a | |||
Name | BDBM155253 | ||
Synonyms: | US10098888, Compound 1 | US9006242, 1 | ||
Type | Small organic molecule | ||
Emp. Form. | C35H48N4O4 | ||
Mol. Mass. | 588.78 | ||
SMILES | CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1 |r,wU:3.2,wD:6.9,(-6.67,1.54,;-5.33,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-5.33,5.39,;-4,6.16,;-2.67,5.39,;-2.67,3.85,;-4,7.7,;-5.33,8.47,;-2.67,8.47,;-2.67,.77,;-1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;,-3.85,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-6.67,-7.7,;-8,-8.47,;-6.67,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-2.67,-.77,;-4,-1.54,;1.33,1.54,;2.67,.77,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;8,.77,;8,-.77,;2.67,3.85,;1.33,3.08,)| | ||
Structure |