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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Xanthine dehydrogenase/oxidase | ||
| Ligand | BDBM50426758 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_940601 (CHEMBL2327375) | ||
| IC50 | 19±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: |
| ||
| BDBM50426758 | |||
| n/a | |||
| Name | BDBM50426758 | ||
| Synonyms: | CHEMBL2322152 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H22N4O4 | ||
| Mol. Mass. | 382.4131 | ||
| SMILES | COC(=O)C1CCC(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)CC1 |(39.78,-47.2,;41.12,-46.43,;41.12,-44.89,;42.45,-44.12,;39.78,-44.12,;38.44,-44.89,;37.12,-44.13,;37.12,-42.59,;35.79,-41.82,;35.78,-40.28,;34.45,-39.52,;34.44,-37.97,;33.1,-37.21,;31.78,-37.98,;31.78,-39.52,;33.11,-40.29,;33.12,-41.83,;33.12,-43.37,;30.45,-37.21,;30.44,-35.66,;29.11,-34.9,;29.1,-33.36,;27.78,-35.67,;27.78,-37.21,;26.44,-37.98,;29.11,-37.98,;38.44,-41.81,;39.78,-42.58,)| | ||
| Structure | 
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