The Cancer Bioactivities Database is built from ChEMBL database (license here) data on compound assays. We retrieved all bioactivity data associated to the target-molecule interactions reported by all assays probing the interaction. We considered bioactivities concerning the affinity of binding, the effective concentration, the efficacy of inhibition and the efficacy of competitive antagonism, whose values were converted to pActivity as appropriate. Each target-compound bioactivity was finally obtained by averaging the values across the available assays accomplishing our inclusion criteria. Additional information of each chemical compound was collected, including its market status (e.g. approved or pre-clinical) and its mechanism of action.
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