Reaction Details | |||
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Target | Xanthine dehydrogenase/oxidase | ||
Ligand | BDBM50426746 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_940601 (CHEMBL2327375) | ||
IC50 | 10.0±n/a nM | ||
Citation | Bajaj, K; Burudkar, S; Shah, P; Keche, A; Ghosh, U; Tannu, P; Khanna, S; Srivastava, A; Deshmukh, NJ; Dixit, A; Ahire, Y; Damre, A; Nemmani, KV; Kulkarni-Almeida, A; B-Rao, C; Sharma, R; Sivaramakrishnan, H Lead optimization of isocytosine-derived xanthine oxidase inhibitors. Bioorg Med Chem Lett23:834-8 (2013) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Xanthine dehydrogenase/oxidase | |||
Name: | Xanthine dehydrogenase/oxidase | ||
Synonyms: | XDH | XDH_BOVIN | Xanthine dehydrogenase | Xanthine oxidase | Xanthine oxidase (XO) | ||
Type: | Protein | ||
Mol. Mass.: | 146809.00 | ||
Organism: | Bos taurus (Bovine) | ||
Description: | P80457 | ||
Residue: | 1332 | ||
Sequence: |
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BDBM50426746 | |||
n/a | |||
Name | BDBM50426746 | ||
Synonyms: | CHEMBL2322163 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H20N4O3 | ||
Mol. Mass. | 352.3871 | ||
SMILES | Nc1nccc(n1)-c1ccc(OCC2CCC(CC2)C(O)=O)c(c1)C#N |(11.11,-13.05,;12.45,-12.28,;12.45,-10.74,;13.78,-9.97,;15.12,-10.73,;15.12,-12.28,;13.79,-13.05,;16.45,-13.05,;17.78,-12.28,;19.12,-13.04,;19.12,-14.59,;20.46,-15.36,;20.46,-16.9,;21.8,-17.66,;21.8,-19.21,;23.13,-19.97,;24.47,-19.2,;24.46,-17.65,;23.12,-16.89,;25.8,-19.96,;25.8,-21.48,;27.12,-19.19,;17.79,-15.36,;16.45,-14.59,;17.8,-16.9,;17.8,-18.44,)| | ||
Structure |