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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Xanthine dehydrogenase/oxidase | ||
| Ligand | BDBM50426747 | ||
| 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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| BDBM50426747 | |||
| n/a | |||
| Name | BDBM50426747 | ||
| Synonyms: | CHEMBL2322162 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H22N4O3 | ||
| Mol. Mass. | 366.4137 | ||
| SMILES | COC(=O)C1CCC(COc2ccc(cc2C#N)-c2ccnc(N)n2)CC1 |(24.48,-22.25,;25.8,-21.48,;25.8,-19.96,;27.12,-19.19,;24.47,-19.2,;23.13,-19.97,;21.8,-19.21,;21.8,-17.66,;20.46,-16.9,;20.46,-15.36,;19.12,-14.59,;19.12,-13.04,;17.78,-12.28,;16.45,-13.05,;16.45,-14.59,;17.79,-15.36,;17.8,-16.9,;17.8,-18.44,;15.12,-12.28,;15.12,-10.73,;13.78,-9.97,;12.45,-10.74,;12.45,-12.28,;11.11,-13.05,;13.79,-13.05,;23.12,-16.89,;24.46,-17.65,)| | ||
| Structure | 
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