| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM178059 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | CA I and II Esterase Assay |
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| Ki | 616.33±44.86 nM |
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| IC50 | 394.64±0.0 nM |
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| Citation |  Artunç, T; Çetinkaya, Y; Göçer, H; Gülçin, Ä°; Menzek, A; Sahin, E; Supuran, CT Synthesis of 4-[2-(3,4-dimethoxybenzyl)cyclopentyl]-1,2-dimethoxybenzene Derivatives and Evaluations of Their Carbonic Anhydrase Isoenzymes Inhibitory Effects. Chem Biol Drug Des87:594-607 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Carbonic anhydrase 1 |
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| Name: | Carbonic anhydrase 1 |
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| Synonyms: | CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA |
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| Type: | Enzyme |
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| Mol. Mass.: | 28873.37 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P00915 |
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| Residue: | 261 |
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| Sequence: | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
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| BDBM178059 |
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| n/a |
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| Name | BDBM178059 |
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| Synonyms: | (3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl 4-nitrobenzoate (23) |
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| Type | Small organic molecule |
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| Emp. Form. | C29H31NO8 |
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| Mol. Mass. | 521.5583 |
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| SMILES | COc1ccc(cc1OC)C(OC(=O)c1ccc(cc1)[N+]([O-])=O)C1CCCC1c1ccc(OC)c(OC)c1 |
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| Structure | 
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