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 51580466 Clc1ccc(cc1)C(=O)NCCN1CCOCC1 InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17) YHXISWVBGDMDLQ-UHFFFAOYSA-N 15613 MCL::Aurorix::4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide::CHEMBL86304::4-chloro-N-(2-morpholin-4-ylethyl)benzamide::Moclobemide Programmed cell death 1 ligand 1 Homo sapiens 3865 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15613 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15613&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 4235 46515904 CHEMBL86304 DB01171 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580467 O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2)cc1 InChI=1S/C19H22N2O2/c22-19(20-10-11-21-12-14-23-15-13-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9H,10-15H2,(H,20,22) YTLASBXFYKFUQU-UHFFFAOYSA-N 50636060 CHEMBL1516633 Programmed cell death 1 ligand 1 Human 1544 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636060 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636060&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 693067 519656463 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580468 O=C(NCCN1CCOCC1)c1ccc(-c2ccc(F)cc2)cc1 InChI=1S/C19H21FN2O2/c20-18-7-5-16(6-8-18)15-1-3-17(4-2-15)19(23)21-9-10-22-11-13-24-14-12-22/h1-8H,9-14H2,(H,21,23) GOGYHQPVTAONNT-UHFFFAOYSA-N 50636061 CHEMBL5523513 Programmed cell death 1 ligand 1 Human 2241 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636061 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636061&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374421 519656464 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580469 O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 InChI=1S/C20H21F3N2O2/c21-20(22,23)18-7-5-16(6-8-18)15-1-3-17(4-2-15)19(26)24-9-10-25-11-13-27-14-12-25/h1-8H,9-14H2,(H,24,26) HHCAZVPZAPOCIM-UHFFFAOYSA-N 50636062 CHEMBL5559755 Programmed cell death 1 ligand 1 Human 6817 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636062 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636062&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374422 519656465 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580470 N#Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 InChI=1S/C20H21N3O2/c21-15-16-1-3-17(4-2-16)18-5-7-19(8-6-18)20(24)22-9-10-23-11-13-25-14-12-23/h1-8H,9-14H2,(H,22,24) WKOSYTQZLOXMAU-UHFFFAOYSA-N 50636063 CHEMBL5527974 Programmed cell death 1 ligand 1 Human 498 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636063 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636063&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374423 519656466 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580471 Nc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 InChI=1S/C19H23N3O2/c20-18-7-5-16(6-8-18)15-1-3-17(4-2-15)19(23)21-9-10-22-11-13-24-14-12-22/h1-8H,9-14,20H2,(H,21,23) AFUYMIAUPDAOEP-UHFFFAOYSA-N 50636064 CHEMBL5556505 Programmed cell death 1 ligand 1 Human 336 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636064 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636064&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374424 519656467 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580472 CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 InChI=1S/C24H31N3O4/c1-24(2,3)31-23(29)26-21-10-8-19(9-11-21)18-4-6-20(7-5-18)22(28)25-12-13-27-14-16-30-17-15-27/h4-11H,12-17H2,1-3H3,(H,25,28)(H,26,29) FWFLFPVICJSHMI-UHFFFAOYSA-N 50636065 CHEMBL5568425 Programmed cell death 1 ligand 1 Human 681 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636065 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636065&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374425 519656468 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580473 COc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1F InChI=1S/C20H23FN2O3/c1-25-19-7-6-17(14-18(19)21)15-2-4-16(5-3-15)20(24)22-8-9-23-10-12-26-13-11-23/h2-7,14H,8-13H2,1H3,(H,22,24) KYIRGXJWECWXIO-UHFFFAOYSA-N 50636066 CHEMBL5559214 Programmed cell death 1 ligand 1 Human 623 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636066 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636066&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374426 519656469 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580474 O=C(NCCN1CCOCC1)c1ccc(-c2cncnc2)cc1 InChI=1S/C17H20N4O2/c22-17(20-5-6-21-7-9-23-10-8-21)15-3-1-14(2-4-15)16-11-18-13-19-12-16/h1-4,11-13H,5-10H2,(H,20,22) RBBOUTDNRNUAFS-UHFFFAOYSA-N 50636067 CHEMBL5556086 Programmed cell death 1 ligand 1 Human 571 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636067 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636067&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374427 519656470 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580475 COc1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cn1 InChI=1S/C18H22N4O3/c1-24-18-20-12-16(13-21-18)14-2-4-15(5-3-14)17(23)19-6-7-22-8-10-25-11-9-22/h2-5,12-13H,6-11H2,1H3,(H,19,23) MTVQWIYOWVILFR-UHFFFAOYSA-N 50636068 CHEMBL5563818 Programmed cell death 1 ligand 1 Human 461 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636068 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636068&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374428 519656471 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580476 COc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cn1 InChI=1S/C19H23N3O3/c1-24-18-7-6-17(14-21-18)15-2-4-16(5-3-15)19(23)20-8-9-22-10-12-25-13-11-22/h2-7,14H,8-13H2,1H3,(H,20,23) DSONWPHTWNOJLW-UHFFFAOYSA-N 50636069 CHEMBL5556986 Programmed cell death 1 ligand 1 Human 669 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636069 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636069&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 121504084 519656472 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580477 Cn1nccc1-c1ccc(C(=O)NCCN2CCOCC2)cc1 InChI=1S/C17H22N4O2/c1-20-16(6-7-19-20)14-2-4-15(5-3-14)17(22)18-8-9-21-10-12-23-13-11-21/h2-7H,8-13H2,1H3,(H,18,22) JQOPTQYLGICECI-UHFFFAOYSA-N 50636070 CHEMBL5565450 Programmed cell death 1 ligand 1 Human 286 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636070 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636070&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374429 519656473 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580478 O=C(NCCN1CCOCC1)c1ccc(-c2ccn(C3CCCCO3)n2)cc1 InChI=1S/C21H28N4O3/c26-21(22-9-11-24-12-15-27-16-13-24)18-6-4-17(5-7-18)19-8-10-25(23-19)20-3-1-2-14-28-20/h4-8,10,20H,1-3,9,11-16H2,(H,22,26) WORGAFANPXAHPF-UHFFFAOYSA-N 50636071 CHEMBL5566429 Programmed cell death 1 ligand 1 Human 2586 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636071 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636071&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374430 519656474 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580479 CCOC(C)n1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cn1 InChI=1S/C20H28N4O3/c1-3-27-16(2)24-15-19(14-22-24)17-4-6-18(7-5-17)20(25)21-8-9-23-10-12-26-13-11-23/h4-7,14-16H,3,8-13H2,1-2H3,(H,21,25) WTQYNBSOYZDAAD-UHFFFAOYSA-N 50636072 CHEMBL5556271 Programmed cell death 1 ligand 1 Human 753 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636072 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636072&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374431 519656475 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580480 Cn1ccc2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc21 InChI=1S/C22H25N3O2/c1-24-10-8-20-16-19(6-7-21(20)24)17-2-4-18(5-3-17)22(26)23-9-11-25-12-14-27-15-13-25/h2-8,10,16H,9,11-15H2,1H3,(H,23,26) HXAIMZXYEYVZDT-UHFFFAOYSA-N 50636073 CHEMBL5558040 Programmed cell death 1 ligand 1 Human 217 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636073 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636073&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 121506358 519656476 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580481 O=C(NCCN1CCOCC1)c1ccc(-c2ccc3c(c2)OCCO3)cc1 InChI=1S/C21H24N2O4/c24-21(22-7-8-23-9-11-25-12-10-23)17-3-1-16(2-4-17)18-5-6-19-20(15-18)27-14-13-26-19/h1-6,15H,7-14H2,(H,22,24) KXVVAVNHQZTZMN-UHFFFAOYSA-N 50636074 CHEMBL5559890 Programmed cell death 1 ligand 1 Human 153 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636074 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636074&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374432 519656477 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580482 O=C(NCCN1CCOCC1)c1ccc(-c2cnc3[nH]ccc3c2)cc1 InChI=1S/C20H22N4O2/c25-20(22-7-8-24-9-11-26-12-10-24)16-3-1-15(2-4-16)18-13-17-5-6-21-19(17)23-14-18/h1-6,13-14H,7-12H2,(H,21,23)(H,22,25) JSNBCUUKHWFKAO-UHFFFAOYSA-N 50636075 CHEMBL5555873 Programmed cell death 1 ligand 1 Human 108 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636075 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636075&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 170836203 519656478 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580483 O=C(NCCN1CCOCC1)c1ccc(-c2cc3ccccc3s2)cc1 InChI=1S/C21H22N2O2S/c24-21(22-9-10-23-11-13-25-14-12-23)17-7-5-16(6-8-17)20-15-18-3-1-2-4-19(18)26-20/h1-8,15H,9-14H2,(H,22,24) JLQOHGUEUGDAOP-UHFFFAOYSA-N 50636076 CHEMBL5562493 Programmed cell death 1 ligand 1 Human 648 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636076 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636076&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374433 519656479 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5 51580484 O=C(NCCN1CCOCC1)c1ccc(-c2ccc3cc4ccccc4cc3c2)cc1 InChI=1S/C27H26N2O2/c30-27(28-11-12-29-13-15-31-16-14-29)21-7-5-20(6-8-21)24-9-10-25-17-22-3-1-2-4-23(22)18-26(25)19-24/h1-10,17-19H,11-16H2,(H,28,30) UYMTXIGTNYBYHH-UHFFFAOYSA-N 50636077 CHEMBL5557337 Programmed cell death 1 ligand 1 Human >10000 ChEMBL 10.7270/Q2V69Q67 38367489 Sun, JG; Gao, Y; Gao, YS; Dai, XJ; Chen, P //0 10/11/2025 The First Affiliated Hospital of Zhengzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50636077 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006891&target=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50636077&enzyme=Programmed+cell+death+1+ligand+1&column=ki&startPg=0&Increment=50&submit=Search 177374434 519656480 1 MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET 7XAE,5IUS,5JDR,3BIS,3BIK,5GRJ,8AOM,6PV9,4Z18,3SBW,5XJ4,3FN3,7TPS,7XYQ,7C88,8P1O,5N2D,5J89,7OUN,5O45,5N2F,5J8O,7UXQ,7UXP,7UXO,7UX5,6VQN,9INU,8R6Q,8K5N,8JBA,8ALX,7NLD,7BEA,6YCR,6RPG,6R3K,5NIU,5GGT,7VUN,7DY7,8XR5,7CZD,8OR1,8RPB,5XXY,5JDS,4ZQK,8ZNL,7DCV,6L8R Programmed cell death 1 ligand 1 PD1L1_HUMAN Q9NZQ7 B2RBA2 B4DU27 Q14CJ2 Q2V8D5 Q66RK1 Q6WEX4 Q9NUZ5