Tyrosinase Inhibitors Dataset: 1725 Compounds with Experimental IC50 Values from ChEMBL and BindingDB

This dataset contains 1,725 curated tyrosinase inhibitors with experimental IC50 values collected from ChEMBL (v34) and BindingDB databases. The dataset includes compounds tested against mushroom tyrosinase (Agaricus bisporus, CHEMBL3318) and human tyrosinase (CHEMBL1973). Each entry contains:- SMILES structure- IC50 (nM and µM)- pIC50- Molecular descriptors (MW, LogP, HBD, HBA, TPSA, RotBonds)- Lipinski Rule of 5 compliance- Data source (ChEMBL/BindingDB) Dataset statistics:- Total compounds: 1,725- Lipinski compliant: 83.4%- IC50 < 1 µM: 826 compounds- IC50 < 100 nM: 598 compounds This dataset is intended for machine learning and QSAR modeling applications in tyrosinase inhibitor discovery.