Reaction Details | |||
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Target | Cytochrome P450 1A2 | ||
Ligand | BDBM50167281 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1573782 (CHEMBL3803203) | ||
IC50 | 19953±n/a nM | ||
Citation | McBride, C; Cheruvallath, Z; Komandla, M; Tang, M; Farrell, P; Lawson, JD; Vanderpool, D; Wu, Y; Dougan, DR; Plonowski, A; Holub, C; Larson, C Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2. Bioorg Med Chem Lett26:2779-2783 (2016) [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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BDBM50167281 | |||
n/a | |||
Name | BDBM50167281 | ||
Synonyms: | CHEMBL3799796 | ||
Type | Small organic molecule | ||
Emp. Form. | C17H13FN6 | ||
Mol. Mass. | 320.3237 | ||
SMILES | Cc1nc2n(C)cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.81,-3.87,;-1.69,-4.39,;-1.56,-5.95,;-.15,-6.58,;.31,-8.04,;-.43,-9.03,;1.85,-8.06,;2.33,-6.62,;1.11,-5.7,;.98,-4.16,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)| | ||
Structure |