Reaction Details | |||
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Target | Cytochrome P450 1A2 | ||
Ligand | BDBM50437753 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_973362 (CHEMBL2410068) | ||
EC50 | >100000±n/a nM | ||
Citation | Kwak, HJ; Pyun, YM; Kim, JY; Pagire, HS; Kim, KY; Kim, KR; Rhee, SD; Jung, WH; Song, JS; Bae, MA; Lee, DH; Ahn, JH Synthesis and biological evaluation of aminobenzimidazole derivatives with a phenylcyclohexyl acetic acid group as anti-obesity and anti-diabetic agents. Bioorg Med Chem Lett23:4713-8 (2013) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cytochrome P450 1A2 | |||
Name: | Cytochrome P450 1A2 | ||
Synonyms: | CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3 | ||
Type: | Enzyme | ||
Mol. Mass.: | 58423.38 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P05177 | ||
Residue: | 516 | ||
Sequence: |
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BDBM50437753 | |||
n/a | |||
Name | BDBM50437753 | ||
Synonyms: | CHEMBL2409564 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H27F3N4O4 | ||
Mol. Mass. | 588.5764 | ||
SMILES | OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1 |(55.73,-27.91,;54.2,-27.92,;53.41,-26.59,;53.44,-29.26,;51.9,-29.27,;51.14,-30.61,;49.6,-30.63,;48.82,-29.3,;49.57,-27.96,;51.11,-27.95,;47.28,-29.32,;46.53,-30.67,;44.99,-30.68,;44.2,-29.35,;44.95,-28.02,;46.49,-27.99,;42.67,-29.37,;41.78,-30.63,;40.31,-30.17,;38.97,-30.95,;37.64,-30.19,;37.64,-28.65,;36.3,-27.89,;34.97,-28.66,;34.98,-30.2,;33.63,-27.9,;32.24,-28.53,;31.2,-27.4,;31.96,-26.06,;33.47,-26.37,;34.61,-25.34,;36.08,-25.81,;34.29,-23.83,;35.93,-24.55,;29.67,-27.56,;28.76,-26.32,;27.23,-26.49,;26.61,-27.9,;27.53,-29.15,;29.06,-28.97,;38.96,-27.87,;40.29,-28.63,;41.76,-28.14,)| | ||
Structure |