BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Date of publication Date in BindingDB Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID PubChem SID ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence 1 PDB ID(s) of Target Chain 1 UniProt (SwissProt) Recommended Name of Target Chain 1 UniProt (SwissProt) Entry Name of Target Chain 1 UniProt (SwissProt) Primary ID of Target Chain 1 UniProt (SwissProt) Secondary ID(s) of Target Chain 1 UniProt (SwissProt) Alternative ID(s) of Target Chain 1 UniProt (TrEMBL) Submitted Name of Target Chain 1 UniProt (TrEMBL) Entry Name of Target Chain 1 UniProt (TrEMBL) Primary ID of Target Chain 1 UniProt (TrEMBL) Secondary ID(s) of Target Chain 1 UniProt (TrEMBL) Alternative ID(s) of Target Chain 1 BindingDB Target Chain Sequence 2 PDB ID(s) of Target Chain 2 UniProt (SwissProt) Recommended Name of Target Chain 2 UniProt (SwissProt) Entry Name of Target Chain 2 UniProt (SwissProt) Primary ID of Target Chain 2 UniProt (SwissProt) Secondary ID(s) of Target Chain 2 UniProt (SwissProt) Alternative ID(s) of Target Chain 2 UniProt (TrEMBL) Submitted Name of Target Chain 2 UniProt (TrEMBL) Entry Name of Target Chain 2 UniProt (TrEMBL) Primary ID of Target Chain 2 UniProt (TrEMBL) Secondary ID(s) of Target Chain 2 UniProt (TrEMBL) Alternative ID(s) of Target Chain 2 BindingDB Target Chain Sequence 3 PDB ID(s) of Target Chain 3 UniProt (SwissProt) Recommended Name of Target Chain 3 UniProt (SwissProt) Entry Name of Target Chain 3 UniProt (SwissProt) Primary ID of Target Chain 3 UniProt (SwissProt) Secondary ID(s) of Target Chain 3 UniProt (SwissProt) Alternative ID(s) of Target Chain 3 UniProt (TrEMBL) Submitted Name of Target Chain 3 UniProt (TrEMBL) Entry Name of Target Chain 3 UniProt (TrEMBL) Primary ID of Target Chain 3 UniProt (TrEMBL) Secondary ID(s) of Target Chain 3 UniProt (TrEMBL) Alternative ID(s) of Target Chain 3 BindingDB Target Chain Sequence 4 PDB ID(s) of Target Chain 4 UniProt (SwissProt) Recommended Name of Target Chain 4 UniProt (SwissProt) Entry Name of Target Chain 4 UniProt (SwissProt) Primary ID of Target Chain 4 UniProt (SwissProt) Secondary ID(s) of Target Chain 4 UniProt (SwissProt) Alternative ID(s) of Target Chain 4 UniProt (TrEMBL) Submitted Name of Target Chain 4 UniProt (TrEMBL) Entry Name of Target Chain 4 UniProt (TrEMBL) Primary ID of Target Chain 4 UniProt (TrEMBL) Secondary ID(s) of Target Chain 4 UniProt (TrEMBL) Alternative ID(s) of Target Chain 4 BindingDB Target Chain Sequence 5 PDB ID(s) of Target Chain 5 UniProt (SwissProt) Recommended Name of Target Chain 5 UniProt (SwissProt) Entry Name of Target Chain 5 UniProt (SwissProt) Primary ID of Target Chain 5 UniProt (SwissProt) Secondary ID(s) of Target Chain 5 UniProt (SwissProt) Alternative ID(s) of Target Chain 5 UniProt (TrEMBL) Submitted Name of Target Chain 5 UniProt (TrEMBL) Entry Name of Target Chain 5 UniProt (TrEMBL) Primary ID of Target Chain 5 UniProt (TrEMBL) Secondary ID(s) of Target Chain 5 UniProt (TrEMBL) Alternative ID(s) of Target Chain 5 BindingDB Target Chain Sequence 6 PDB ID(s) of Target Chain 6 UniProt (SwissProt) Recommended Name of Target Chain 6 UniProt (SwissProt) Entry Name of Target Chain 6 UniProt (SwissProt) Primary ID of Target Chain 6 UniProt (SwissProt) Secondary ID(s) of Target Chain 6 UniProt (SwissProt) Alternative ID(s) of Target Chain 6 UniProt (TrEMBL) Submitted Name of Target Chain 6 UniProt (TrEMBL) Entry Name of Target Chain 6 UniProt (TrEMBL) Primary ID of Target Chain 6 UniProt (TrEMBL) Secondary ID(s) of Target Chain 6 UniProt (TrEMBL) Alternative ID(s) of Target Chain 6 BindingDB Target Chain Sequence 7 PDB ID(s) of Target Chain 7 UniProt (SwissProt) Recommended Name of Target Chain 7 UniProt (SwissProt) Entry Name of Target Chain 7 UniProt (SwissProt) Primary ID of Target Chain 7 UniProt (SwissProt) Secondary ID(s) of Target Chain 7 UniProt (SwissProt) Alternative ID(s) of Target Chain 7 UniProt (TrEMBL) Submitted Name of Target Chain 7 UniProt (TrEMBL) Entry Name of Target Chain 7 UniProt (TrEMBL) Primary ID of Target Chain 7 UniProt (TrEMBL) Secondary ID(s) of Target Chain 7 UniProt (TrEMBL) Alternative ID(s) of Target Chain 7 BindingDB Target Chain Sequence 8 PDB ID(s) of Target Chain 8 UniProt (SwissProt) Recommended Name of Target Chain 8 UniProt (SwissProt) Entry Name of Target Chain 8 UniProt (SwissProt) Primary ID of Target Chain 8 UniProt (SwissProt) Secondary ID(s) of Target Chain 8 UniProt (SwissProt) Alternative ID(s) of Target Chain 8 UniProt (TrEMBL) Submitted Name of Target Chain 8 UniProt (TrEMBL) Entry Name of Target Chain 8 UniProt (TrEMBL) Primary ID of Target Chain 8 UniProt (TrEMBL) Secondary ID(s) of Target Chain 8 UniProt (TrEMBL) Alternative ID(s) of Target Chain 8 BindingDB Target Chain Sequence 9 PDB ID(s) of Target Chain 9 UniProt (SwissProt) Recommended Name of Target Chain 9 UniProt (SwissProt) Entry Name of Target Chain 9 UniProt (SwissProt) Primary ID of Target Chain 9 UniProt (SwissProt) Secondary ID(s) of Target Chain 9 UniProt (SwissProt) Alternative ID(s) of Target Chain 9 UniProt (TrEMBL) Submitted Name of Target Chain 9 UniProt (TrEMBL) Entry Name of Target Chain 9 UniProt (TrEMBL) Primary ID of Target Chain 9 UniProt (TrEMBL) Secondary ID(s) of Target Chain 9 UniProt (TrEMBL) Alternative ID(s) of Target Chain 9 BindingDB Target Chain Sequence 10 PDB ID(s) of Target Chain 10 UniProt (SwissProt) Recommended Name of Target Chain 10 UniProt (SwissProt) Entry Name of Target Chain 10 UniProt (SwissProt) Primary ID of Target Chain 10 UniProt (SwissProt) Secondary ID(s) of Target Chain 10 UniProt (SwissProt) Alternative ID(s) of Target Chain 10 UniProt (TrEMBL) Submitted Name of Target Chain 10 UniProt (TrEMBL) Entry Name of Target Chain 10 UniProt (TrEMBL) Primary ID of Target Chain 10 UniProt (TrEMBL) Secondary ID(s) of Target Chain 10 UniProt (TrEMBL) Alternative ID(s) of Target Chain 10 BindingDB Target Chain Sequence 11 PDB ID(s) of Target Chain 11 UniProt (SwissProt) Recommended Name of Target Chain 11 UniProt (SwissProt) Entry Name of Target Chain 11 UniProt (SwissProt) Primary ID of Target Chain 11 UniProt (SwissProt) Secondary ID(s) of Target Chain 11 UniProt (SwissProt) Alternative ID(s) of Target Chain 11 UniProt (TrEMBL) Submitted Name of Target Chain 11 UniProt (TrEMBL) Entry Name of Target Chain 11 UniProt (TrEMBL) Primary ID of Target Chain 11 UniProt (TrEMBL) Secondary ID(s) of Target Chain 11 UniProt (TrEMBL) Alternative ID(s) of Target Chain 11 BindingDB Target Chain Sequence 12 PDB ID(s) of Target Chain 12 UniProt (SwissProt) Recommended Name of Target Chain 12 UniProt (SwissProt) Entry Name of Target Chain 12 UniProt (SwissProt) Primary ID of Target Chain 12 UniProt (SwissProt) Secondary ID(s) of Target Chain 12 UniProt (SwissProt) Alternative ID(s) of Target Chain 12 UniProt (TrEMBL) Submitted Name of Target Chain 12 UniProt (TrEMBL) Entry Name of Target Chain 12 UniProt (TrEMBL) Primary ID of Target Chain 12 UniProt (TrEMBL) Secondary ID(s) of Target Chain 12 UniProt (TrEMBL) Alternative ID(s) of Target Chain 12 BindingDB Target Chain Sequence 13 PDB ID(s) of Target Chain 13 UniProt (SwissProt) Recommended Name of Target Chain 13 UniProt (SwissProt) Entry Name of Target Chain 13 UniProt (SwissProt) Primary ID of Target Chain 13 UniProt (SwissProt) Secondary ID(s) of Target Chain 13 UniProt (SwissProt) Alternative ID(s) of Target Chain 13 UniProt (TrEMBL) Submitted Name of Target Chain 13 UniProt (TrEMBL) Entry Name of Target Chain 13 UniProt (TrEMBL) Primary ID of Target Chain 13 UniProt (TrEMBL) Secondary ID(s) of Target Chain 13 UniProt (TrEMBL) Alternative ID(s) of Target Chain 13 BindingDB Target Chain Sequence 14 PDB ID(s) of Target Chain 14 UniProt (SwissProt) Recommended Name of Target Chain 14 UniProt (SwissProt) Entry Name of Target Chain 14 UniProt (SwissProt) Primary ID of Target Chain 14 UniProt (SwissProt) Secondary ID(s) of Target Chain 14 UniProt (SwissProt) Alternative ID(s) of Target Chain 14 UniProt (TrEMBL) Submitted Name of Target Chain 14 UniProt (TrEMBL) Entry Name of Target Chain 14 UniProt (TrEMBL) Primary ID of Target Chain 14 UniProt (TrEMBL) Secondary ID(s) of Target Chain 14 UniProt (TrEMBL) Alternative ID(s) of Target Chain 14 BindingDB Target Chain Sequence 15 PDB ID(s) of Target Chain 15 UniProt (SwissProt) Recommended Name of Target Chain 15 UniProt (SwissProt) Entry Name of Target Chain 15 UniProt (SwissProt) Primary ID of Target Chain 15 UniProt (SwissProt) Secondary ID(s) of Target Chain 15 UniProt (SwissProt) Alternative ID(s) of Target Chain 15 UniProt (TrEMBL) Submitted Name of Target Chain 15 UniProt (TrEMBL) Entry Name of Target Chain 15 UniProt (TrEMBL) Primary ID of Target Chain 15 UniProt (TrEMBL) Secondary ID(s) of Target Chain 15 UniProt (TrEMBL) Alternative ID(s) of Target Chain 15 BindingDB Target Chain Sequence 16 PDB ID(s) of Target Chain 16 UniProt (SwissProt) Recommended Name of Target Chain 16 UniProt (SwissProt) Entry Name of Target Chain 16 UniProt (SwissProt) Primary ID of Target Chain 16 UniProt (SwissProt) Secondary ID(s) of Target Chain 16 UniProt (SwissProt) Alternative ID(s) of Target Chain 16 UniProt (TrEMBL) Submitted Name of Target Chain 16 UniProt (TrEMBL) Entry Name of Target Chain 16 UniProt (TrEMBL) Primary ID of Target Chain 16 UniProt (TrEMBL) Secondary ID(s) of Target Chain 16 UniProt (TrEMBL) Alternative ID(s) of Target Chain 16 BindingDB Target Chain Sequence 17 PDB ID(s) of Target Chain 17 UniProt (SwissProt) Recommended Name of Target Chain 17 UniProt (SwissProt) Entry Name of Target Chain 17 UniProt (SwissProt) Primary ID of Target Chain 17 UniProt (SwissProt) Secondary ID(s) of Target Chain 17 UniProt (SwissProt) Alternative ID(s) of Target Chain 17 UniProt (TrEMBL) Submitted Name of Target Chain 17 UniProt (TrEMBL) Entry Name of Target Chain 17 UniProt (TrEMBL) Primary ID of Target Chain 17 UniProt (TrEMBL) Secondary ID(s) of Target Chain 17 UniProt (TrEMBL) Alternative ID(s) of Target Chain 17 BindingDB Target Chain Sequence 18 PDB ID(s) of Target Chain 18 UniProt (SwissProt) Recommended Name of Target Chain 18 UniProt (SwissProt) Entry Name of Target Chain 18 UniProt (SwissProt) Primary ID of Target Chain 18 UniProt (SwissProt) Secondary ID(s) of Target Chain 18 UniProt (SwissProt) Alternative ID(s) of Target Chain 18 UniProt (TrEMBL) Submitted Name of Target Chain 18 UniProt (TrEMBL) Entry Name of Target Chain 18 UniProt (TrEMBL) Primary ID of Target Chain 18 UniProt (TrEMBL) Secondary ID(s) of Target Chain 18 UniProt (TrEMBL) Alternative ID(s) of Target Chain 18 BindingDB Target Chain Sequence 19 PDB ID(s) of Target Chain 19 UniProt (SwissProt) Recommended Name of Target Chain 19 UniProt (SwissProt) Entry Name of Target Chain 19 UniProt (SwissProt) Primary ID of Target Chain 19 UniProt (SwissProt) Secondary ID(s) of Target Chain 19 UniProt (SwissProt) Alternative ID(s) of Target Chain 19 UniProt (TrEMBL) Submitted Name of Target Chain 19 UniProt (TrEMBL) Entry Name of Target Chain 19 UniProt (TrEMBL) Primary ID of Target Chain 19 UniProt (TrEMBL) Secondary ID(s) of Target Chain 19 UniProt (TrEMBL) Alternative ID(s) of Target Chain 19 BindingDB Target Chain Sequence 20 PDB ID(s) of Target Chain 20 UniProt (SwissProt) Recommended Name of Target Chain 20 UniProt (SwissProt) Entry Name of Target Chain 20 UniProt (SwissProt) Primary ID of Target Chain 20 UniProt (SwissProt) Secondary ID(s) of Target Chain 20 UniProt (SwissProt) Alternative ID(s) of Target Chain 20 UniProt (TrEMBL) Submitted Name of Target Chain 20 UniProt (TrEMBL) Entry Name of Target Chain 20 UniProt (TrEMBL) Primary ID of Target Chain 20 UniProt (TrEMBL) Secondary ID(s) of Target Chain 20 UniProt (TrEMBL) Alternative ID(s) of Target Chain 20 BindingDB Target Chain Sequence 21 PDB ID(s) of Target Chain 21 UniProt (SwissProt) Recommended Name of Target Chain 21 UniProt (SwissProt) Entry Name of Target Chain 21 UniProt (SwissProt) Primary ID of Target Chain 21 UniProt (SwissProt) Secondary ID(s) of Target Chain 21 UniProt (SwissProt) Alternative ID(s) of Target Chain 21 UniProt (TrEMBL) Submitted Name of Target Chain 21 UniProt (TrEMBL) Entry Name of Target Chain 21 UniProt (TrEMBL) Primary ID of Target Chain 21 UniProt (TrEMBL) Secondary ID(s) of Target Chain 21 UniProt (TrEMBL) Alternative ID(s) of Target Chain 21 BindingDB Target Chain Sequence 22 PDB ID(s) of Target Chain 22 UniProt (SwissProt) Recommended Name of Target Chain 22 UniProt (SwissProt) Entry Name of Target Chain 22 UniProt (SwissProt) Primary ID of Target Chain 22 UniProt (SwissProt) Secondary ID(s) of Target Chain 22 UniProt (SwissProt) Alternative ID(s) of Target Chain 22 UniProt (TrEMBL) Submitted Name of Target Chain 22 UniProt (TrEMBL) Entry Name of Target Chain 22 UniProt (TrEMBL) Primary ID of Target Chain 22 UniProt (TrEMBL) Secondary ID(s) of Target Chain 22 UniProt (TrEMBL) Alternative ID(s) of Target Chain 22 BindingDB Target Chain Sequence 23 PDB ID(s) of Target Chain 23 UniProt (SwissProt) Recommended Name of Target Chain 23 UniProt (SwissProt) Entry Name of Target Chain 23 UniProt (SwissProt) Primary ID of Target Chain 23 UniProt (SwissProt) Secondary ID(s) of Target Chain 23 UniProt (SwissProt) Alternative ID(s) of Target Chain 23 UniProt (TrEMBL) Submitted Name of Target Chain 23 UniProt (TrEMBL) Entry Name of Target Chain 23 UniProt (TrEMBL) Primary ID of Target Chain 23 UniProt (TrEMBL) Secondary ID(s) of Target Chain 23 UniProt (TrEMBL) Alternative ID(s) of Target Chain 23 BindingDB Target Chain Sequence 24 PDB ID(s) of Target Chain 24 UniProt (SwissProt) Recommended Name of Target Chain 24 UniProt (SwissProt) Entry Name of Target Chain 24 UniProt (SwissProt) Primary ID of Target Chain 24 UniProt (SwissProt) Secondary ID(s) of Target Chain 24 UniProt (SwissProt) Alternative ID(s) of Target Chain 24 UniProt (TrEMBL) Submitted Name of Target Chain 24 UniProt (TrEMBL) Entry Name of Target Chain 24 UniProt (TrEMBL) Primary ID of Target Chain 24 UniProt (TrEMBL) Secondary ID(s) of Target Chain 24 UniProt (TrEMBL) Alternative ID(s) of Target Chain 24 BindingDB Target Chain Sequence 25 PDB ID(s) of Target Chain 25 UniProt (SwissProt) Recommended Name of Target Chain 25 UniProt (SwissProt) Entry Name of Target Chain 25 UniProt (SwissProt) Primary ID of Target Chain 25 UniProt (SwissProt) Secondary ID(s) of Target Chain 25 UniProt (SwissProt) Alternative ID(s) of Target Chain 25 UniProt (TrEMBL) Submitted Name of Target Chain 25 UniProt (TrEMBL) Entry Name of Target Chain 25 UniProt (TrEMBL) Primary ID of Target Chain 25 UniProt (TrEMBL) Secondary ID(s) of Target Chain 25 UniProt (TrEMBL) Alternative ID(s) of Target Chain 25 BindingDB Target Chain Sequence 26 PDB ID(s) of Target Chain 26 UniProt (SwissProt) Recommended Name of Target Chain 26 UniProt (SwissProt) Entry Name of Target Chain 26 UniProt (SwissProt) Primary ID of Target Chain 26 UniProt (SwissProt) Secondary ID(s) of Target Chain 26 UniProt (SwissProt) Alternative ID(s) of Target Chain 26 UniProt (TrEMBL) Submitted Name of Target Chain 26 UniProt (TrEMBL) Entry Name of Target Chain 26 UniProt (TrEMBL) Primary ID of Target Chain 26 UniProt (TrEMBL) Secondary ID(s) of Target Chain 26 UniProt (TrEMBL) Alternative ID(s) of Target Chain 26 BindingDB Target Chain Sequence 27 PDB ID(s) of Target Chain 27 UniProt (SwissProt) Recommended Name of Target Chain 27 UniProt (SwissProt) Entry Name of Target Chain 27 UniProt (SwissProt) Primary ID of Target Chain 27 UniProt (SwissProt) Secondary ID(s) of Target Chain 27 UniProt (SwissProt) Alternative ID(s) of Target Chain 27 UniProt (TrEMBL) Submitted Name of Target Chain 27 UniProt (TrEMBL) Entry Name of Target Chain 27 UniProt (TrEMBL) Primary ID of Target Chain 27 UniProt (TrEMBL) Secondary ID(s) of Target Chain 27 UniProt (TrEMBL) Alternative ID(s) of Target Chain 27 BindingDB Target Chain Sequence 28 PDB ID(s) of Target Chain 28 UniProt (SwissProt) Recommended Name of Target Chain 28 UniProt (SwissProt) Entry Name of Target Chain 28 UniProt (SwissProt) Primary ID of Target Chain 28 UniProt (SwissProt) Secondary ID(s) of Target Chain 28 UniProt (SwissProt) Alternative ID(s) of Target Chain 28 UniProt (TrEMBL) Submitted Name of Target Chain 28 UniProt (TrEMBL) Entry Name of Target Chain 28 UniProt (TrEMBL) Primary ID of Target Chain 28 UniProt (TrEMBL) Secondary ID(s) of Target Chain 28 UniProt (TrEMBL) Alternative ID(s) of Target Chain 28 BindingDB Target Chain Sequence 29 PDB ID(s) of Target Chain 29 UniProt (SwissProt) Recommended Name of Target Chain 29 UniProt (SwissProt) Entry Name of Target Chain 29 UniProt (SwissProt) Primary ID of Target Chain 29 UniProt (SwissProt) Secondary ID(s) of Target Chain 29 UniProt (SwissProt) Alternative ID(s) of Target Chain 29 UniProt (TrEMBL) Submitted Name of Target Chain 29 UniProt (TrEMBL) Entry Name of Target Chain 29 UniProt (TrEMBL) Primary ID of Target Chain 29 UniProt (TrEMBL) Secondary ID(s) of Target Chain 29 UniProt (TrEMBL) Alternative ID(s) of Target Chain 29 BindingDB Target Chain Sequence 30 PDB ID(s) of Target Chain 30 UniProt (SwissProt) Recommended Name of Target Chain 30 UniProt (SwissProt) Entry Name of Target Chain 30 UniProt (SwissProt) Primary ID of Target Chain 30 UniProt (SwissProt) Secondary ID(s) of Target Chain 30 UniProt (SwissProt) Alternative ID(s) of Target Chain 30 UniProt (TrEMBL) Submitted Name of Target Chain 30 UniProt (TrEMBL) Entry Name of Target Chain 30 UniProt (TrEMBL) Primary ID of Target Chain 30 UniProt (TrEMBL) Secondary ID(s) of Target Chain 30 UniProt (TrEMBL) Alternative ID(s) of Target Chain 30 BindingDB Target Chain Sequence 31 PDB ID(s) of Target Chain 31 UniProt (SwissProt) Recommended Name of Target Chain 31 UniProt (SwissProt) Entry Name of Target Chain 31 UniProt (SwissProt) Primary ID of Target Chain 31 UniProt (SwissProt) Secondary ID(s) of Target Chain 31 UniProt (SwissProt) Alternative ID(s) of Target Chain 31 UniProt (TrEMBL) Submitted Name of Target Chain 31 UniProt (TrEMBL) Entry Name of Target Chain 31 UniProt (TrEMBL) Primary ID of Target Chain 31 UniProt (TrEMBL) Secondary ID(s) of Target Chain 31 UniProt (TrEMBL) Alternative ID(s) of Target Chain 31 BindingDB Target Chain Sequence 32 PDB ID(s) of Target Chain 32 UniProt (SwissProt) Recommended Name of Target Chain 32 UniProt (SwissProt) Entry Name of Target Chain 32 UniProt (SwissProt) Primary ID of Target Chain 32 UniProt (SwissProt) Secondary ID(s) of Target Chain 32 UniProt (SwissProt) Alternative ID(s) of Target Chain 32 UniProt (TrEMBL) Submitted Name of Target Chain 32 UniProt (TrEMBL) Entry Name of Target Chain 32 UniProt (TrEMBL) Primary ID of Target Chain 32 UniProt (TrEMBL) Secondary ID(s) of Target Chain 32 UniProt (TrEMBL) Alternative ID(s) of Target Chain 32 BindingDB Target Chain Sequence 33 PDB ID(s) of Target Chain 33 UniProt (SwissProt) Recommended Name of Target Chain 33 UniProt (SwissProt) Entry Name of Target Chain 33 UniProt (SwissProt) Primary ID of Target Chain 33 UniProt (SwissProt) Secondary ID(s) of Target Chain 33 UniProt (SwissProt) Alternative ID(s) of Target Chain 33 UniProt (TrEMBL) Submitted Name of Target Chain 33 UniProt (TrEMBL) Entry Name of Target Chain 33 UniProt (TrEMBL) Primary ID of Target Chain 33 UniProt (TrEMBL) Secondary ID(s) of Target Chain 33 UniProt (TrEMBL) Alternative ID(s) of Target Chain 33 BindingDB Target Chain Sequence 34 PDB ID(s) of Target Chain 34 UniProt (SwissProt) Recommended Name of Target Chain 34 UniProt (SwissProt) Entry Name of Target Chain 34 UniProt (SwissProt) Primary ID of Target Chain 34 UniProt (SwissProt) Secondary ID(s) of Target Chain 34 UniProt (SwissProt) Alternative ID(s) of Target Chain 34 UniProt (TrEMBL) Submitted Name of Target Chain 34 UniProt (TrEMBL) Entry Name of Target Chain 34 UniProt (TrEMBL) Primary ID of Target Chain 34 UniProt (TrEMBL) Secondary ID(s) of Target Chain 34 UniProt (TrEMBL) Alternative ID(s) of Target Chain 34 BindingDB Target Chain Sequence 35 PDB ID(s) of Target Chain 35 UniProt (SwissProt) Recommended Name of Target Chain 35 UniProt (SwissProt) Entry Name of Target Chain 35 UniProt (SwissProt) Primary ID of Target Chain 35 UniProt (SwissProt) Secondary ID(s) of Target Chain 35 UniProt (SwissProt) Alternative ID(s) of Target Chain 35 UniProt (TrEMBL) Submitted Name of Target Chain 35 UniProt (TrEMBL) Entry Name of Target Chain 35 UniProt (TrEMBL) Primary ID of Target Chain 35 UniProt (TrEMBL) Secondary ID(s) of Target Chain 35 UniProt (TrEMBL) Alternative ID(s) of Target Chain 35 BindingDB Target Chain Sequence 36 PDB ID(s) of Target Chain 36 UniProt (SwissProt) Recommended Name of Target Chain 36 UniProt (SwissProt) Entry Name of Target Chain 36 UniProt (SwissProt) Primary ID of Target Chain 36 UniProt (SwissProt) Secondary ID(s) of Target Chain 36 UniProt (SwissProt) Alternative ID(s) of Target Chain 36 UniProt (TrEMBL) Submitted Name of Target Chain 36 UniProt (TrEMBL) Entry Name of Target Chain 36 UniProt (TrEMBL) Primary ID of Target Chain 36 UniProt (TrEMBL) Secondary ID(s) of Target Chain 36 UniProt (TrEMBL) Alternative ID(s) of Target Chain 36 BindingDB Target Chain Sequence 37 PDB ID(s) of Target Chain 37 UniProt (SwissProt) Recommended Name of Target Chain 37 UniProt (SwissProt) Entry Name of Target Chain 37 UniProt (SwissProt) Primary ID of Target Chain 37 UniProt (SwissProt) Secondary ID(s) of Target Chain 37 UniProt (SwissProt) Alternative ID(s) of Target Chain 37 UniProt (TrEMBL) Submitted Name of Target Chain 37 UniProt (TrEMBL) Entry Name of Target Chain 37 UniProt (TrEMBL) Primary ID of Target Chain 37 UniProt (TrEMBL) Secondary ID(s) of Target Chain 37 UniProt (TrEMBL) Alternative ID(s) of Target Chain 37 BindingDB Target Chain Sequence 38 PDB ID(s) of Target Chain 38 UniProt (SwissProt) Recommended Name of Target Chain 38 UniProt (SwissProt) Entry Name of Target Chain 38 UniProt (SwissProt) Primary ID of Target Chain 38 UniProt (SwissProt) Secondary ID(s) of Target Chain 38 UniProt (SwissProt) Alternative ID(s) of Target Chain 38 UniProt (TrEMBL) Submitted Name of Target Chain 38 UniProt (TrEMBL) Entry Name of Target Chain 38 UniProt (TrEMBL) Primary ID of Target Chain 38 UniProt (TrEMBL) Secondary ID(s) of Target Chain 38 UniProt (TrEMBL) Alternative ID(s) of Target Chain 38 BindingDB Target Chain Sequence 39 PDB ID(s) of Target Chain 39 UniProt (SwissProt) Recommended Name of Target Chain 39 UniProt (SwissProt) Entry Name of Target Chain 39 UniProt (SwissProt) Primary ID of Target Chain 39 UniProt (SwissProt) Secondary ID(s) of Target Chain 39 UniProt (SwissProt) Alternative ID(s) of Target Chain 39 UniProt (TrEMBL) Submitted Name of Target Chain 39 UniProt (TrEMBL) Entry Name of Target Chain 39 UniProt (TrEMBL) Primary ID of Target Chain 39 UniProt (TrEMBL) Secondary ID(s) of Target Chain 39 UniProt (TrEMBL) Alternative ID(s) of Target Chain 39 BindingDB Target Chain Sequence 40 PDB ID(s) of Target Chain 40 UniProt (SwissProt) Recommended Name of Target Chain 40 UniProt (SwissProt) Entry Name of Target Chain 40 UniProt (SwissProt) Primary ID of Target Chain 40 UniProt (SwissProt) Secondary ID(s) of Target Chain 40 UniProt (SwissProt) Alternative ID(s) of Target Chain 40 UniProt (TrEMBL) Submitted Name of Target Chain 40 UniProt (TrEMBL) Entry Name of Target Chain 40 UniProt (TrEMBL) Primary ID of Target Chain 40 UniProt (TrEMBL) Secondary ID(s) of Target Chain 40 UniProt (TrEMBL) Alternative ID(s) of Target Chain 40 BindingDB Target Chain Sequence 41 PDB ID(s) of Target Chain 41 UniProt (SwissProt) Recommended Name of Target Chain 41 UniProt (SwissProt) Entry Name of Target Chain 41 UniProt (SwissProt) Primary ID of Target Chain 41 UniProt (SwissProt) Secondary ID(s) of Target Chain 41 UniProt (SwissProt) Alternative ID(s) of Target Chain 41 UniProt (TrEMBL) Submitted Name of Target Chain 41 UniProt (TrEMBL) Entry Name of Target Chain 41 UniProt (TrEMBL) Primary ID of Target Chain 41 UniProt (TrEMBL) Secondary ID(s) of Target Chain 41 UniProt (TrEMBL) Alternative ID(s) of Target Chain 41 BindingDB Target Chain Sequence 42 PDB ID(s) of Target Chain 42 UniProt (SwissProt) Recommended Name of Target Chain 42 UniProt (SwissProt) Entry Name of Target Chain 42 UniProt (SwissProt) Primary ID of Target Chain 42 UniProt (SwissProt) Secondary ID(s) of Target Chain 42 UniProt (SwissProt) Alternative ID(s) of Target Chain 42 UniProt (TrEMBL) Submitted Name of Target Chain 42 UniProt (TrEMBL) Entry Name of Target Chain 42 UniProt (TrEMBL) Primary ID of Target Chain 42 UniProt (TrEMBL) Secondary ID(s) of Target Chain 42 UniProt (TrEMBL) Alternative ID(s) of Target Chain 42 BindingDB Target Chain Sequence 43 PDB ID(s) of Target Chain 43 UniProt (SwissProt) Recommended Name of Target Chain 43 UniProt (SwissProt) Entry Name of Target Chain 43 UniProt (SwissProt) Primary ID of Target Chain 43 UniProt (SwissProt) Secondary ID(s) of Target Chain 43 UniProt (SwissProt) Alternative ID(s) of Target Chain 43 UniProt (TrEMBL) Submitted Name of Target Chain 43 UniProt (TrEMBL) Entry Name of Target Chain 43 UniProt (TrEMBL) Primary ID of Target Chain 43 UniProt (TrEMBL) Secondary ID(s) of Target Chain 43 UniProt (TrEMBL) Alternative ID(s) of Target Chain 43 BindingDB Target Chain Sequence 44 PDB ID(s) of Target Chain 44 UniProt (SwissProt) Recommended Name of Target Chain 44 UniProt (SwissProt) Entry Name of Target Chain 44 UniProt (SwissProt) Primary ID of Target Chain 44 UniProt (SwissProt) Secondary ID(s) of Target Chain 44 UniProt (SwissProt) Alternative ID(s) of Target Chain 44 UniProt (TrEMBL) Submitted Name of Target Chain 44 UniProt (TrEMBL) Entry Name of Target Chain 44 UniProt (TrEMBL) Primary ID of Target Chain 44 UniProt (TrEMBL) Secondary ID(s) of Target Chain 44 UniProt (TrEMBL) Alternative ID(s) of Target Chain 44 BindingDB Target Chain Sequence 45 PDB ID(s) of Target Chain 45 UniProt (SwissProt) Recommended Name of Target Chain 45 UniProt (SwissProt) Entry Name of Target Chain 45 UniProt (SwissProt) Primary ID of Target Chain 45 UniProt (SwissProt) Secondary ID(s) of Target Chain 45 UniProt (SwissProt) Alternative ID(s) of Target Chain 45 UniProt (TrEMBL) Submitted Name of Target Chain 45 UniProt (TrEMBL) Entry Name of Target Chain 45 UniProt (TrEMBL) Primary ID of Target Chain 45 UniProt (TrEMBL) Secondary ID(s) of Target Chain 45 UniProt (TrEMBL) Alternative ID(s) of Target Chain 45 BindingDB Target Chain Sequence 46 PDB ID(s) of Target Chain 46 UniProt (SwissProt) Recommended Name of Target Chain 46 UniProt (SwissProt) Entry Name of Target Chain 46 UniProt (SwissProt) Primary ID of Target Chain 46 UniProt (SwissProt) Secondary ID(s) of Target Chain 46 UniProt (SwissProt) Alternative ID(s) of Target Chain 46 UniProt (TrEMBL) Submitted Name of Target Chain 46 UniProt (TrEMBL) Entry Name of Target Chain 46 UniProt (TrEMBL) Primary ID of Target Chain 46 UniProt (TrEMBL) Secondary ID(s) of Target Chain 46 UniProt (TrEMBL) Alternative ID(s) of Target Chain 46 BindingDB Target Chain Sequence 47 PDB ID(s) of Target Chain 47 UniProt (SwissProt) Recommended Name of Target Chain 47 UniProt (SwissProt) Entry Name of Target Chain 47 UniProt (SwissProt) Primary ID of Target Chain 47 UniProt (SwissProt) Secondary ID(s) of Target Chain 47 UniProt (SwissProt) Alternative ID(s) of Target Chain 47 UniProt (TrEMBL) Submitted Name of Target Chain 47 UniProt (TrEMBL) Entry Name of Target Chain 47 UniProt (TrEMBL) Primary ID of Target Chain 47 UniProt (TrEMBL) Secondary ID(s) of Target Chain 47 UniProt (TrEMBL) Alternative ID(s) of Target Chain 47 BindingDB Target Chain Sequence 48 PDB ID(s) of Target Chain 48 UniProt (SwissProt) Recommended Name of Target Chain 48 UniProt (SwissProt) Entry Name of Target Chain 48 UniProt (SwissProt) Primary ID of Target Chain 48 UniProt (SwissProt) Secondary ID(s) of Target Chain 48 UniProt (SwissProt) Alternative ID(s) of Target Chain 48 UniProt (TrEMBL) Submitted Name of Target Chain 48 UniProt (TrEMBL) Entry Name of Target Chain 48 UniProt (TrEMBL) Primary ID of Target Chain 48 UniProt (TrEMBL) Secondary ID(s) of Target Chain 48 UniProt (TrEMBL) Alternative ID(s) of Target Chain 48 BindingDB Target Chain Sequence 49 PDB ID(s) of Target Chain 49 UniProt (SwissProt) Recommended Name of Target Chain 49 UniProt (SwissProt) Entry Name of Target Chain 49 UniProt (SwissProt) Primary ID of Target Chain 49 UniProt (SwissProt) Secondary ID(s) of Target Chain 49 UniProt (SwissProt) Alternative ID(s) of Target Chain 49 UniProt (TrEMBL) Submitted Name of Target Chain 49 UniProt (TrEMBL) Entry Name of Target Chain 49 UniProt (TrEMBL) Primary ID of Target Chain 49 UniProt (TrEMBL) Secondary ID(s) of Target Chain 49 UniProt (TrEMBL) Alternative ID(s) of Target Chain 49 BindingDB Target Chain Sequence 50 PDB ID(s) of Target Chain 50 UniProt (SwissProt) Recommended Name of Target Chain 50 UniProt (SwissProt) Entry Name of Target Chain 50 UniProt (SwissProt) Primary ID of Target Chain 50 UniProt (SwissProt) Secondary ID(s) of Target Chain 50 UniProt (SwissProt) Alternative ID(s) of Target Chain 50 UniProt (TrEMBL) Submitted Name of Target Chain 50 UniProt (TrEMBL) Entry Name of Target Chain 50 UniProt (TrEMBL) Primary ID of Target Chain 50 UniProt (TrEMBL) Secondary ID(s) of Target Chain 50 UniProt (TrEMBL) Alternative ID(s) of Target Chain 50 51603482 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28) XYFPWWZEPKGCCK-UHFFFAOYSA-N 50357312 IBRUTINIB::US9181263, 1::US9108973, Ref 1::US9278100, 1::US10124003, Ref. Ex. Compound 1::PCI-32765::US10711006, Compound Ibrutinib::US10919899, Ibrutinib::US10835536, Ref. Ex. Comp 1::US10793575, Example ibrutinib::US11186578, Example Ibrutinib::US11078206, Example Ibrutinib::US11407754, Example Ibrutinib::US11339167, Example Ibrutinib::US20230364079, Example Ibrutinib::US20240059694, Compound Ibrutinib::US20240139326, Compound Ibrutinib::US20240358707, Compound 13::US20250304585, Compound Ibrutinib Tyrosine-protein kinase BTK Homo sapiens 9.0 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357312 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357312&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 24821094 136961336 DB09053 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603483 Cc1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C28H28N8O3S/c1-18-15-30-28(40(2,37)38)33-26(18)35-14-6-7-20(16-35)36-27-23(25(29)31-17-32-27)24(34-36)19-10-12-22(13-11-19)39-21-8-4-3-5-9-21/h3-5,8-13,15,17,20H,6-7,14,16H2,1-2H3,(H2,29,31,32) YSFSFUDYGWTRGX-UHFFFAOYSA-N 50646095 CHEMBL5593141 Tyrosine-protein kinase BTK Human 24 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646095 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646095&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377707 519661497 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603484 COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H28N8O5S/c1-41-28(38)22-15-31-29(43(2,39)40)34-26(22)36-14-6-7-19(16-36)37-27-23(25(30)32-17-33-27)24(35-37)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H2,30,32,33) BDUNAZSUROMMAF-UHFFFAOYSA-N 50646096 CHEMBL5590893 Tyrosine-protein kinase BTK Human 57 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646096 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646096&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377708 519661498 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603485 CCOC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C30H30N8O5S/c1-3-42-29(39)23-16-32-30(44(2,40)41)35-27(23)37-15-7-8-20(17-37)38-28-24(26(31)33-18-34-28)25(36-38)19-11-13-22(14-12-19)43-21-9-5-4-6-10-21/h4-6,9-14,16,18,20H,3,7-8,15,17H2,1-2H3,(H2,31,33,34) YDKPYHRFBNCZIO-UHFFFAOYSA-N 50646097 CHEMBL5589957 Tyrosine-protein kinase BTK Human 35 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646097 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646097&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377709 519661499 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603486 CNC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H29N9O4S/c1-31-28(39)22-15-32-29(43(2,40)41)35-26(22)37-14-6-7-19(16-37)38-27-23(25(30)33-17-34-27)24(36-38)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H,31,39)(H2,30,33,34) HKIXPZAHPHKWJJ-UHFFFAOYSA-N 50646098 CHEMBL5589636 Tyrosine-protein kinase BTK Human 28 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646098 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646098&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377710 519661500 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603487 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28) XYFPWWZEPKGCCK-UHFFFAOYSA-N 50357312 IBRUTINIB::US9181263, 1::US9108973, Ref 1::US9278100, 1::US10124003, Ref. Ex. Compound 1::PCI-32765::US10711006, Compound Ibrutinib::US10919899, Ibrutinib::US10835536, Ref. Ex. Comp 1::US10793575, Example ibrutinib::US11186578, Example Ibrutinib::US11078206, Example Ibrutinib::US11407754, Example Ibrutinib::US11339167, Example Ibrutinib::US20230364079, Example Ibrutinib::US20240059694, Compound Ibrutinib::US20240139326, Compound Ibrutinib::US20240358707, Compound 13::US20250304585, Compound Ibrutinib Tyrosine-protein kinase BTK Homo sapiens 2.3 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357312 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357312&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 24821094 136961336 DB09053 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603488 Cc1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C28H28N8O3S/c1-18-15-30-28(40(2,37)38)33-26(18)35-14-6-7-20(16-35)36-27-23(25(29)31-17-32-27)24(34-36)19-10-12-22(13-11-19)39-21-8-4-3-5-9-21/h3-5,8-13,15,17,20H,6-7,14,16H2,1-2H3,(H2,29,31,32) YSFSFUDYGWTRGX-UHFFFAOYSA-N 50646095 CHEMBL5593141 Tyrosine-protein kinase BTK Human 9.1 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646095 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646095&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377707 519661497 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603489 COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H28N8O5S/c1-41-28(38)22-15-31-29(43(2,39)40)34-26(22)36-14-6-7-19(16-36)37-27-23(25(30)32-17-33-27)24(35-37)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H2,30,32,33) BDUNAZSUROMMAF-UHFFFAOYSA-N 50646096 CHEMBL5590893 Tyrosine-protein kinase BTK Human 24 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646096 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646096&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377708 519661498 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603490 CNC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H29N9O4S/c1-31-28(39)22-15-32-29(43(2,40)41)35-26(22)37-14-6-7-19(16-37)38-27-23(25(30)33-17-34-27)24(36-38)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H,31,39)(H2,30,33,34) HKIXPZAHPHKWJJ-UHFFFAOYSA-N 50646098 CHEMBL5589636 Tyrosine-protein kinase BTK Human 5.1 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646098 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646098&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377710 519661500 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603491 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28) XYFPWWZEPKGCCK-UHFFFAOYSA-N 50357312 IBRUTINIB::US9181263, 1::US9108973, Ref 1::US9278100, 1::US10124003, Ref. Ex. Compound 1::PCI-32765::US10711006, Compound Ibrutinib::US10919899, Ibrutinib::US10835536, Ref. Ex. Comp 1::US10793575, Example ibrutinib::US11186578, Example Ibrutinib::US11078206, Example Ibrutinib::US11407754, Example Ibrutinib::US11339167, Example Ibrutinib::US20230364079, Example Ibrutinib::US20240059694, Compound Ibrutinib::US20240139326, Compound Ibrutinib::US20240358707, Compound 13::US20250304585, Compound Ibrutinib Tyrosine-protein kinase BTK Homo sapiens 0.620000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357312 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357312&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 24821094 136961336 DB09053 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603492 Cc1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C28H28N8O3S/c1-18-15-30-28(40(2,37)38)33-26(18)35-14-6-7-20(16-35)36-27-23(25(29)31-17-32-27)24(34-36)19-10-12-22(13-11-19)39-21-8-4-3-5-9-21/h3-5,8-13,15,17,20H,6-7,14,16H2,1-2H3,(H2,29,31,32) YSFSFUDYGWTRGX-UHFFFAOYSA-N 50646095 CHEMBL5593141 Tyrosine-protein kinase BTK Human 6.0 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646095 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646095&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377707 519661497 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603493 COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H28N8O5S/c1-41-28(38)22-15-31-29(43(2,39)40)34-26(22)36-14-6-7-19(16-36)37-27-23(25(30)32-17-33-27)24(35-37)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H2,30,32,33) BDUNAZSUROMMAF-UHFFFAOYSA-N 50646096 CHEMBL5590893 Tyrosine-protein kinase BTK Human 79 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646096 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646096&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377708 519661498 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603494 CNC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H29N9O4S/c1-31-28(39)22-15-32-29(43(2,40)41)35-26(22)37-14-6-7-19(16-37)38-27-23(25(30)33-17-34-27)24(36-38)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H,31,39)(H2,30,33,34) HKIXPZAHPHKWJJ-UHFFFAOYSA-N 50646098 CHEMBL5589636 Tyrosine-protein kinase BTK Human 3.6 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646098 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646098&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377710 519661500 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603495 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28) XYFPWWZEPKGCCK-UHFFFAOYSA-N 50357312 IBRUTINIB::US9181263, 1::US9108973, Ref 1::US9278100, 1::US10124003, Ref. Ex. Compound 1::PCI-32765::US10711006, Compound Ibrutinib::US10919899, Ibrutinib::US10835536, Ref. Ex. Comp 1::US10793575, Example ibrutinib::US11186578, Example Ibrutinib::US11078206, Example Ibrutinib::US11407754, Example Ibrutinib::US11339167, Example Ibrutinib::US20230364079, Example Ibrutinib::US20240059694, Compound Ibrutinib::US20240139326, Compound Ibrutinib::US20240358707, Compound 13::US20250304585, Compound Ibrutinib Tyrosine-protein kinase BTK Homo sapiens 0.100000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357312 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357312&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 24821094 136961336 DB09053 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603496 Cc1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C28H28N8O3S/c1-18-15-30-28(40(2,37)38)33-26(18)35-14-6-7-20(16-35)36-27-23(25(29)31-17-32-27)24(34-36)19-10-12-22(13-11-19)39-21-8-4-3-5-9-21/h3-5,8-13,15,17,20H,6-7,14,16H2,1-2H3,(H2,29,31,32) YSFSFUDYGWTRGX-UHFFFAOYSA-N 50646095 CHEMBL5593141 Tyrosine-protein kinase BTK Human 0.310000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646095 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646095&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377707 519661497 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603497 COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H28N8O5S/c1-41-28(38)22-15-31-29(43(2,39)40)34-26(22)36-14-6-7-19(16-36)37-27-23(25(30)32-17-33-27)24(35-37)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H2,30,32,33) BDUNAZSUROMMAF-UHFFFAOYSA-N 50646096 CHEMBL5590893 Tyrosine-protein kinase BTK Human 6.3 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646096 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646096&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377708 519661498 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603498 CNC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H29N9O4S/c1-31-28(39)22-15-32-29(43(2,40)41)35-26(22)37-14-6-7-19(16-37)38-27-23(25(30)33-17-34-27)24(36-38)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H,31,39)(H2,30,33,34) HKIXPZAHPHKWJJ-UHFFFAOYSA-N 50646098 CHEMBL5589636 Tyrosine-protein kinase BTK Human 1.2 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646098 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646098&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377710 519661500 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603499 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28) XYFPWWZEPKGCCK-UHFFFAOYSA-N 50357312 IBRUTINIB::US9181263, 1::US9108973, Ref 1::US9278100, 1::US10124003, Ref. Ex. Compound 1::PCI-32765::US10711006, Compound Ibrutinib::US10919899, Ibrutinib::US10835536, Ref. Ex. Comp 1::US10793575, Example ibrutinib::US11186578, Example Ibrutinib::US11078206, Example Ibrutinib::US11407754, Example Ibrutinib::US11339167, Example Ibrutinib::US20230364079, Example Ibrutinib::US20240059694, Compound Ibrutinib::US20240139326, Compound Ibrutinib::US20240358707, Compound 13::US20250304585, Compound Ibrutinib Epidermal growth factor receptor Homo sapiens 59 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357312 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357312&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 24821094 136961336 DB09053 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9Q0S,9PMZ,9OU9,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9NGP,9MST,9MSS,9MSR,9KL4,9H47,9H46,9H42,9GL9,9GI9,9FRD,9DM8,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51603500 Cc1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C28H28N8O3S/c1-18-15-30-28(40(2,37)38)33-26(18)35-14-6-7-20(16-35)36-27-23(25(29)31-17-32-27)24(34-36)19-10-12-22(13-11-19)39-21-8-4-3-5-9-21/h3-5,8-13,15,17,20H,6-7,14,16H2,1-2H3,(H2,29,31,32) YSFSFUDYGWTRGX-UHFFFAOYSA-N 50646095 CHEMBL5593141 Epidermal growth factor receptor Human >1000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646095 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646095&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 177377707 519661497 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H46,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C,7ZYP,7ZYN,7ZYM,6S8A,6S89,8A2A Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51603501 COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H28N8O5S/c1-41-28(38)22-15-31-29(43(2,39)40)34-26(22)36-14-6-7-19(16-36)37-27-23(25(30)32-17-33-27)24(35-37)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H2,30,32,33) BDUNAZSUROMMAF-UHFFFAOYSA-N 50646096 CHEMBL5590893 Epidermal growth factor receptor Human >1000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646096 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646096&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 177377708 519661498 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H46,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C,7ZYP,7ZYN,7ZYM,6S8A,6S89,8A2A Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51603502 CNC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H29N9O4S/c1-31-28(39)22-15-32-29(43(2,40)41)35-26(22)37-14-6-7-19(16-37)38-27-23(25(30)33-17-34-27)24(36-38)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H,31,39)(H2,30,33,34) HKIXPZAHPHKWJJ-UHFFFAOYSA-N 50646098 CHEMBL5589636 Epidermal growth factor receptor Human >1000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646098 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=520&target=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646098&enzyme=Epidermal+growth+factor+receptor&column=ki&startPg=0&Increment=50&submit=Search 177377710 519661500 1 MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA 3QWQ,1IVO,4UV7,9IPE,9IPD,9IPC,9IPB,9IPA,9IP9,9IP8,9IP7,4KRO,3B2V,4KRP,4UIP,1MOX,5WB8,5WB7,3GOP,8UKV,9P9U,7AEM,7SI1,7B85,5EM8,5CAV,1M17,1M14,4TKS,7UKV,3VJO,8PNZ,7AEI,5UGB,4I23,1XKK,9QXN,9OS6,9NM0,9NJN,9NJ7,9NIS,9NHW,9MST,9MSS,9MSR,9KL4,9H46,9GL9,9GI9,9FRD,8SC7,8G63,6VHP,6VHN,6VH4,6D8E,4ZAU,4WRG,4WKQ,4G5J,3W33,3W32,3W2S,3POZ,2RF9,2J6M,2J5F,2J5E,2ITY,2ITX,2ITW,2GS6,2GS2,7T4I,5FED,9FZS,9FZR,9BY6,9BY4,6JZ0,4JRV,4JR3,4JQ8,4JQ7,8PO0,4LI5,9U8C,7ZYP,7ZYN,7ZYM,6S8A,6S89,8A2A Epidermal growth factor receptor EGFR_HUMAN P00533 O00688 O00732 P06268 Q14225 Q68GS5 Q92795 Q9BZS2 Q9GZX1 Q9H2C9 Q9H3C9 Q9UMD7 Q9UMD8 Q9UMG5 51603503 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28) XYFPWWZEPKGCCK-UHFFFAOYSA-N 50357312 IBRUTINIB::US9181263, 1::US9108973, Ref 1::US9278100, 1::US10124003, Ref. Ex. Compound 1::PCI-32765::US10711006, Compound Ibrutinib::US10919899, Ibrutinib::US10835536, Ref. Ex. Comp 1::US10793575, Example ibrutinib::US11186578, Example Ibrutinib::US11078206, Example Ibrutinib::US11407754, Example Ibrutinib::US11339167, Example Ibrutinib::US20230364079, Example Ibrutinib::US20240059694, Compound Ibrutinib::US20240139326, Compound Ibrutinib::US20240358707, Compound 13::US20250304585, Compound Ibrutinib Tyrosine-protein kinase JAK3 Homo sapiens >1000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357312 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=4919&target=Tyrosine-protein+kinase+JAK3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357312&enzyme=Tyrosine-protein+kinase+JAK3&column=ki&startPg=0&Increment=50&submit=Search 24821094 136961336 DB09053 1 MAPPSEETPLIPQRSCSLLSTEAGALHVLLPARGPGPPQRLSFSFGDHLAEDLCVQAAKASGILPVYHSLFALATEDLSCWFPPSHIFSVEDASTQVLLYRIRFYFPNWFGLEKCHRFGLRKDLASAILDLPVLEHLFAQHRSDLVSGRLPVGLSLKEQGECLSLAVLDLARMAREQAQRPGELLKTVSYKACLPPSLRDLIQGLSFVTRRRIRRTVRRALRRVAACQADRHSLMAKYIMDLERLDPAGAAETFHVGLPGALGGHDGLGLLRVAGDGGIAWTQGEQEVLQPFCDFPEIVDISIKQAPRVGPAGEHRLVTVTRTDNQILEAEFPGLPEALSFVALVDGYFRLTTDSQHFFCKEVAPPRLLEEVAEQCHGPITLDFAINKLKTGGSRPGSYVLRRSPQDFDSFLLTVCVQNPLGPDYKGCLIRRSPTGTFLLVGLSRPHSSLRELLATCWDGGLHVDGVAVTLTSCCIPRPKEKSNLIVVQRGHSPPTSSLVQPQSQYQLSQMTFHKIPADSLEWHENLGHGSFTKIYRGCRHEVVDGEARKTEVLLKVMDAKHKNCMESFLEAASLMSQVSYRHLVLLHGVCMAGDSTMVQEFVHLGAIDMYLRKRGHLVPASWKLQVVKQLAYALNYLEDKGLPHGNVSARKVLLAREGADGSPPFIKLSDPGVSPAVLSLEMLTDRIPWVAPECLREAQTLSLEADKWGFGATVWEVFSGVTMPISALDPAKKLQFYEDRQQLPAPKWTELALLIQQCMAYEPVQRPSFRAVIRDLNSLISSDYELLSDPTPGALAPRDGLWNGAQLYACQDPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGCERDVPALCRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSRGCETHAFTAHPEGKHHSLSFS 7C3N,3PJC,6DUD,6DB4,6DB3,6DA4,5TTV,5TTU,5TTS,5TOZ Tyrosine-protein kinase JAK3 JAK3_HUMAN P52333 Q13259 Q13260 Q13611 Q8N1E8 Q99699 Q9Y6S2 N/A A0A024R7M7 51603504 Cc1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C28H28N8O3S/c1-18-15-30-28(40(2,37)38)33-26(18)35-14-6-7-20(16-35)36-27-23(25(29)31-17-32-27)24(34-36)19-10-12-22(13-11-19)39-21-8-4-3-5-9-21/h3-5,8-13,15,17,20H,6-7,14,16H2,1-2H3,(H2,29,31,32) YSFSFUDYGWTRGX-UHFFFAOYSA-N 50646095 CHEMBL5593141 Tyrosine-protein kinase JAK3 Human >1000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646095 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=4919&target=Tyrosine-protein+kinase+JAK3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646095&enzyme=Tyrosine-protein+kinase+JAK3&column=ki&startPg=0&Increment=50&submit=Search 177377707 519661497 1 MAPPSEETPLIPQRSCSLLSTEAGALHVLLPARGPGPPQRLSFSFGDHLAEDLCVQAAKASGILPVYHSLFALATEDLSCWFPPSHIFSVEDASTQVLLYRIRFYFPNWFGLEKCHRFGLRKDLASAILDLPVLEHLFAQHRSDLVSGRLPVGLSLKEQGECLSLAVLDLARMAREQAQRPGELLKTVSYKACLPPSLRDLIQGLSFVTRRRIRRTVRRALRRVAACQADRHSLMAKYIMDLERLDPAGAAETFHVGLPGALGGHDGLGLLRVAGDGGIAWTQGEQEVLQPFCDFPEIVDISIKQAPRVGPAGEHRLVTVTRTDNQILEAEFPGLPEALSFVALVDGYFRLTTDSQHFFCKEVAPPRLLEEVAEQCHGPITLDFAINKLKTGGSRPGSYVLRRSPQDFDSFLLTVCVQNPLGPDYKGCLIRRSPTGTFLLVGLSRPHSSLRELLATCWDGGLHVDGVAVTLTSCCIPRPKEKSNLIVVQRGHSPPTSSLVQPQSQYQLSQMTFHKIPADSLEWHENLGHGSFTKIYRGCRHEVVDGEARKTEVLLKVMDAKHKNCMESFLEAASLMSQVSYRHLVLLHGVCMAGDSTMVQEFVHLGAIDMYLRKRGHLVPASWKLQVVKQLAYALNYLEDKGLPHGNVSARKVLLAREGADGSPPFIKLSDPGVSPAVLSLEMLTDRIPWVAPECLREAQTLSLEADKWGFGATVWEVFSGVTMPISALDPAKKLQFYEDRQQLPAPKWTELALLIQQCMAYEPVQRPSFRAVIRDLNSLISSDYELLSDPTPGALAPRDGLWNGAQLYACQDPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGCERDVPALCRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSRGCETHAFTAHPEGKHHSLSFS 7C3N,3PJC,6DUD,6DB4,6DB3,6DA4,5TTV,5TTU,5TTS,5TOZ Tyrosine-protein kinase JAK3 JAK3_HUMAN P52333 Q13259 Q13260 Q13611 Q8N1E8 Q99699 Q9Y6S2 N/A A0A024R7M7 51603505 COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H28N8O5S/c1-41-28(38)22-15-31-29(43(2,39)40)34-26(22)36-14-6-7-19(16-36)37-27-23(25(30)32-17-33-27)24(35-37)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H2,30,32,33) BDUNAZSUROMMAF-UHFFFAOYSA-N 50646096 CHEMBL5590893 Tyrosine-protein kinase JAK3 Human >1000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646096 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=4919&target=Tyrosine-protein+kinase+JAK3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646096&enzyme=Tyrosine-protein+kinase+JAK3&column=ki&startPg=0&Increment=50&submit=Search 177377708 519661498 1 MAPPSEETPLIPQRSCSLLSTEAGALHVLLPARGPGPPQRLSFSFGDHLAEDLCVQAAKASGILPVYHSLFALATEDLSCWFPPSHIFSVEDASTQVLLYRIRFYFPNWFGLEKCHRFGLRKDLASAILDLPVLEHLFAQHRSDLVSGRLPVGLSLKEQGECLSLAVLDLARMAREQAQRPGELLKTVSYKACLPPSLRDLIQGLSFVTRRRIRRTVRRALRRVAACQADRHSLMAKYIMDLERLDPAGAAETFHVGLPGALGGHDGLGLLRVAGDGGIAWTQGEQEVLQPFCDFPEIVDISIKQAPRVGPAGEHRLVTVTRTDNQILEAEFPGLPEALSFVALVDGYFRLTTDSQHFFCKEVAPPRLLEEVAEQCHGPITLDFAINKLKTGGSRPGSYVLRRSPQDFDSFLLTVCVQNPLGPDYKGCLIRRSPTGTFLLVGLSRPHSSLRELLATCWDGGLHVDGVAVTLTSCCIPRPKEKSNLIVVQRGHSPPTSSLVQPQSQYQLSQMTFHKIPADSLEWHENLGHGSFTKIYRGCRHEVVDGEARKTEVLLKVMDAKHKNCMESFLEAASLMSQVSYRHLVLLHGVCMAGDSTMVQEFVHLGAIDMYLRKRGHLVPASWKLQVVKQLAYALNYLEDKGLPHGNVSARKVLLAREGADGSPPFIKLSDPGVSPAVLSLEMLTDRIPWVAPECLREAQTLSLEADKWGFGATVWEVFSGVTMPISALDPAKKLQFYEDRQQLPAPKWTELALLIQQCMAYEPVQRPSFRAVIRDLNSLISSDYELLSDPTPGALAPRDGLWNGAQLYACQDPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGCERDVPALCRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSRGCETHAFTAHPEGKHHSLSFS 7C3N,3PJC,6DUD,6DB4,6DB3,6DA4,5TTV,5TTU,5TTS,5TOZ Tyrosine-protein kinase JAK3 JAK3_HUMAN P52333 Q13259 Q13260 Q13611 Q8N1E8 Q99699 Q9Y6S2 N/A A0A024R7M7 51603506 CNC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H29N9O4S/c1-31-28(39)22-15-32-29(43(2,40)41)35-26(22)37-14-6-7-19(16-37)38-27-23(25(30)33-17-34-27)24(36-38)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H,31,39)(H2,30,33,34) HKIXPZAHPHKWJJ-UHFFFAOYSA-N 50646098 CHEMBL5589636 Tyrosine-protein kinase JAK3 Human >1000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646098 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=4919&target=Tyrosine-protein+kinase+JAK3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646098&enzyme=Tyrosine-protein+kinase+JAK3&column=ki&startPg=0&Increment=50&submit=Search 177377710 519661500 1 MAPPSEETPLIPQRSCSLLSTEAGALHVLLPARGPGPPQRLSFSFGDHLAEDLCVQAAKASGILPVYHSLFALATEDLSCWFPPSHIFSVEDASTQVLLYRIRFYFPNWFGLEKCHRFGLRKDLASAILDLPVLEHLFAQHRSDLVSGRLPVGLSLKEQGECLSLAVLDLARMAREQAQRPGELLKTVSYKACLPPSLRDLIQGLSFVTRRRIRRTVRRALRRVAACQADRHSLMAKYIMDLERLDPAGAAETFHVGLPGALGGHDGLGLLRVAGDGGIAWTQGEQEVLQPFCDFPEIVDISIKQAPRVGPAGEHRLVTVTRTDNQILEAEFPGLPEALSFVALVDGYFRLTTDSQHFFCKEVAPPRLLEEVAEQCHGPITLDFAINKLKTGGSRPGSYVLRRSPQDFDSFLLTVCVQNPLGPDYKGCLIRRSPTGTFLLVGLSRPHSSLRELLATCWDGGLHVDGVAVTLTSCCIPRPKEKSNLIVVQRGHSPPTSSLVQPQSQYQLSQMTFHKIPADSLEWHENLGHGSFTKIYRGCRHEVVDGEARKTEVLLKVMDAKHKNCMESFLEAASLMSQVSYRHLVLLHGVCMAGDSTMVQEFVHLGAIDMYLRKRGHLVPASWKLQVVKQLAYALNYLEDKGLPHGNVSARKVLLAREGADGSPPFIKLSDPGVSPAVLSLEMLTDRIPWVAPECLREAQTLSLEADKWGFGATVWEVFSGVTMPISALDPAKKLQFYEDRQQLPAPKWTELALLIQQCMAYEPVQRPSFRAVIRDLNSLISSDYELLSDPTPGALAPRDGLWNGAQLYACQDPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGCERDVPALCRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSRGCETHAFTAHPEGKHHSLSFS 7C3N,3PJC,6DUD,6DB4,6DB3,6DA4,5TTV,5TTU,5TTS,5TOZ Tyrosine-protein kinase JAK3 JAK3_HUMAN P52333 Q13259 Q13260 Q13611 Q8N1E8 Q99699 Q9Y6S2 N/A A0A024R7M7 51603507 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28) XYFPWWZEPKGCCK-UHFFFAOYSA-N 50357312 IBRUTINIB::US9181263, 1::US9108973, Ref 1::US9278100, 1::US10124003, Ref. Ex. Compound 1::PCI-32765::US10711006, Compound Ibrutinib::US10919899, Ibrutinib::US10835536, Ref. Ex. Comp 1::US10793575, Example ibrutinib::US11186578, Example Ibrutinib::US11078206, Example Ibrutinib::US11407754, Example Ibrutinib::US11339167, Example Ibrutinib::US20230364079, Example Ibrutinib::US20240059694, Compound Ibrutinib::US20240139326, Compound Ibrutinib::US20240358707, Compound 13::US20250304585, Compound Ibrutinib Tyrosine-protein kinase ITK/TSK Homo sapiens >1000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357312 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5623&target=Tyrosine-protein+kinase+ITK%2FTSK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357312&enzyme=Tyrosine-protein+kinase+ITK%2FTSK&column=ki&startPg=0&Increment=50&submit=Search 24821094 136961336 DB09053 1 MNNFILLEEQLIKKSQQKRRTSPSNFKVRFFVLTKASLAYFEDRHGKKRTLKGSIELSRIKCVEIVKSDISIPCHYKYPFQVVHDNYLLYVFAPDRESRQRWVLALKEETRNNNSLVPKYHPNFWMDGKWRCCSQLEKLATGCAQYDPTKNASKKPLPPTPEDNRRPLWEPEETVVIALYDYQTNDPQELALRRNEEYCLLDSSEIHWWRVQDRNGHEGYVPSSYLVEKSPNNLETYEWYNKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETNDNPKRYYVAEKYVFDSIPLLINYHQHNGGGLVTRLRYPVCFGRQKAPVTAGLRYGKWVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESGL 3V8W,3V8T,3V5L,3V5J,1SNX,1SNU,1SM2 Tyrosine-protein kinase ITK/TSK ITK_HUMAN Q08881 B2R752 Q32ML7 51603508 Cc1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C28H28N8O3S/c1-18-15-30-28(40(2,37)38)33-26(18)35-14-6-7-20(16-35)36-27-23(25(29)31-17-32-27)24(34-36)19-10-12-22(13-11-19)39-21-8-4-3-5-9-21/h3-5,8-13,15,17,20H,6-7,14,16H2,1-2H3,(H2,29,31,32) YSFSFUDYGWTRGX-UHFFFAOYSA-N 50646095 CHEMBL5593141 Tyrosine-protein kinase ITK/TSK Human >1000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646095 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5623&target=Tyrosine-protein+kinase+ITK%2FTSK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646095&enzyme=Tyrosine-protein+kinase+ITK%2FTSK&column=ki&startPg=0&Increment=50&submit=Search 177377707 519661497 1 MNNFILLEEQLIKKSQQKRRTSPSNFKVRFFVLTKASLAYFEDRHGKKRTLKGSIELSRIKCVEIVKSDISIPCHYKYPFQVVHDNYLLYVFAPDRESRQRWVLALKEETRNNNSLVPKYHPNFWMDGKWRCCSQLEKLATGCAQYDPTKNASKKPLPPTPEDNRRPLWEPEETVVIALYDYQTNDPQELALRRNEEYCLLDSSEIHWWRVQDRNGHEGYVPSSYLVEKSPNNLETYEWYNKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETNDNPKRYYVAEKYVFDSIPLLINYHQHNGGGLVTRLRYPVCFGRQKAPVTAGLRYGKWVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESGL 3V8W,3V8T,3V5L,3V5J,1SNX,1SNU,1SM2 Tyrosine-protein kinase ITK/TSK ITK_HUMAN Q08881 B2R752 Q32ML7 51603509 COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H28N8O5S/c1-41-28(38)22-15-31-29(43(2,39)40)34-26(22)36-14-6-7-19(16-36)37-27-23(25(30)32-17-33-27)24(35-37)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H2,30,32,33) BDUNAZSUROMMAF-UHFFFAOYSA-N 50646096 CHEMBL5590893 Tyrosine-protein kinase ITK/TSK Human >1000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646096 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5623&target=Tyrosine-protein+kinase+ITK%2FTSK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646096&enzyme=Tyrosine-protein+kinase+ITK%2FTSK&column=ki&startPg=0&Increment=50&submit=Search 177377708 519661498 1 MNNFILLEEQLIKKSQQKRRTSPSNFKVRFFVLTKASLAYFEDRHGKKRTLKGSIELSRIKCVEIVKSDISIPCHYKYPFQVVHDNYLLYVFAPDRESRQRWVLALKEETRNNNSLVPKYHPNFWMDGKWRCCSQLEKLATGCAQYDPTKNASKKPLPPTPEDNRRPLWEPEETVVIALYDYQTNDPQELALRRNEEYCLLDSSEIHWWRVQDRNGHEGYVPSSYLVEKSPNNLETYEWYNKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETNDNPKRYYVAEKYVFDSIPLLINYHQHNGGGLVTRLRYPVCFGRQKAPVTAGLRYGKWVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESGL 3V8W,3V8T,3V5L,3V5J,1SNX,1SNU,1SM2 Tyrosine-protein kinase ITK/TSK ITK_HUMAN Q08881 B2R752 Q32ML7 51603510 CNC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H29N9O4S/c1-31-28(39)22-15-32-29(43(2,40)41)35-26(22)37-14-6-7-19(16-37)38-27-23(25(30)33-17-34-27)24(36-38)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H,31,39)(H2,30,33,34) HKIXPZAHPHKWJJ-UHFFFAOYSA-N 50646098 CHEMBL5589636 Tyrosine-protein kinase ITK/TSK Human >1000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646098 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5623&target=Tyrosine-protein+kinase+ITK%2FTSK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646098&enzyme=Tyrosine-protein+kinase+ITK%2FTSK&column=ki&startPg=0&Increment=50&submit=Search 177377710 519661500 1 MNNFILLEEQLIKKSQQKRRTSPSNFKVRFFVLTKASLAYFEDRHGKKRTLKGSIELSRIKCVEIVKSDISIPCHYKYPFQVVHDNYLLYVFAPDRESRQRWVLALKEETRNNNSLVPKYHPNFWMDGKWRCCSQLEKLATGCAQYDPTKNASKKPLPPTPEDNRRPLWEPEETVVIALYDYQTNDPQELALRRNEEYCLLDSSEIHWWRVQDRNGHEGYVPSSYLVEKSPNNLETYEWYNKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETNDNPKRYYVAEKYVFDSIPLLINYHQHNGGGLVTRLRYPVCFGRQKAPVTAGLRYGKWVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESGL 3V8W,3V8T,3V5L,3V5J,1SNX,1SNU,1SM2 Tyrosine-protein kinase ITK/TSK ITK_HUMAN Q08881 B2R752 Q32ML7 51603511 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28) XYFPWWZEPKGCCK-UHFFFAOYSA-N 50357312 IBRUTINIB::US9181263, 1::US9108973, Ref 1::US9278100, 1::US10124003, Ref. Ex. Compound 1::PCI-32765::US10711006, Compound Ibrutinib::US10919899, Ibrutinib::US10835536, Ref. Ex. Comp 1::US10793575, Example ibrutinib::US11186578, Example Ibrutinib::US11078206, Example Ibrutinib::US11407754, Example Ibrutinib::US11339167, Example Ibrutinib::US20230364079, Example Ibrutinib::US20240059694, Compound Ibrutinib::US20240139326, Compound Ibrutinib::US20240358707, Compound 13::US20250304585, Compound Ibrutinib Tyrosine-protein kinase BTK Homo sapiens 1.000000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357312 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357312&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 24821094 136961336 DB09053 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603512 Cc1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C28H28N8O3S/c1-18-15-30-28(40(2,37)38)33-26(18)35-14-6-7-20(16-35)36-27-23(25(29)31-17-32-27)24(34-36)19-10-12-22(13-11-19)39-21-8-4-3-5-9-21/h3-5,8-13,15,17,20H,6-7,14,16H2,1-2H3,(H2,29,31,32) YSFSFUDYGWTRGX-UHFFFAOYSA-N 50646095 CHEMBL5593141 Tyrosine-protein kinase BTK Human 8.0 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646095 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646095&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377707 519661497 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603513 COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H28N8O5S/c1-41-28(38)22-15-31-29(43(2,39)40)34-26(22)36-14-6-7-19(16-36)37-27-23(25(30)32-17-33-27)24(35-37)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H2,30,32,33) BDUNAZSUROMMAF-UHFFFAOYSA-N 50646096 CHEMBL5590893 Tyrosine-protein kinase BTK Human 38 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646096 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646096&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377708 519661498 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603514 CCOC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C30H30N8O5S/c1-3-42-29(39)23-16-32-30(44(2,40)41)35-27(23)37-15-7-8-20(17-37)38-28-24(26(31)33-18-34-28)25(36-38)19-11-13-22(14-12-19)43-21-9-5-4-6-10-21/h4-6,9-14,16,18,20H,3,7-8,15,17H2,1-2H3,(H2,31,33,34) YDKPYHRFBNCZIO-UHFFFAOYSA-N 50646097 CHEMBL5589957 Tyrosine-protein kinase BTK Human 26 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646097 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646097&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377709 519661499 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5 51603515 CNC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 InChI=1S/C29H29N9O4S/c1-31-28(39)22-15-32-29(43(2,40)41)35-26(22)37-14-6-7-19(16-37)38-27-23(25(30)33-17-34-27)24(36-38)18-10-12-21(13-11-18)42-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H,31,39)(H2,30,33,34) HKIXPZAHPHKWJJ-UHFFFAOYSA-N 50646098 CHEMBL5589636 Tyrosine-protein kinase BTK Human 0.600000 ChEMBL 10.7270/Q2445S4F 39119945 Moraru, R; Valle-Argos, B; Minton, A; Buermann, L; Pan, S; Wales, TE; Joseph, RE; Andreotti, AH; Strefford, JC; Packham, G; Baud, MGJ //0 10/12/2025 University of Southampton http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50646098 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1846&target=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50646098&enzyme=Tyrosine-protein+kinase+BTK&column=ki&startPg=0&Increment=50&submit=Search 177377710 519661500 1 MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES 4YHF,5J87,6MNY,9EJR,9EJJ,8S9F,8FLL,8E2M,7R60,7L5P,7L5O,7KXP,7KXM,6X3P,6X3O,6X3N,6OMU,6NFH,6N9P,6DI9,6DI5,6DI3,6DI1,6DI0,5VFI,5U9D,5FBO,5FBN,8U2E,8U2D,8GC7,8EJB,4ZLZ,4ZLY,7R61,7KXQ,7N4S,7N4R,7N4Q,6O8I,7KXL,6NFI,7LTZ,7LTY,7KXO,7KXN,3P08,6S90,8YVV,6XE4,6BLN,6BKW,6BKH,6BKE,6BIK,5VGO,5KUP,4RX5,3OCS,4OTF,5ZZ4,5XYZ,6AUB,6AUA,1K2P,4NWM,6YYG,2Z0P,1B55,6HTF Tyrosine-protein kinase BTK BTK_HUMAN Q06187 B2RAW1 Q32ML5