Structural analogs of the most potent hit compounds (compounds 5 and 11) obtained after the first screening.
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MACCS structural keys system (BIT_packed) and the Tanimoto coefficient were used as fingerprint system and similarity metric, respectively. The table summarizes, for each compound, the ZINC-code, the Ambinter-code, the molecular weight, the experimental IC50, Ki and/or Ki′values, the BE, and the inhibition profile. n.d., not determined.
创建时间：
2015-12-02
