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 131733 COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc(c1)-n1ccnc1)-c1cncs1 |r,wU:8.11,wD:5.4,(23.22,-11.28,;21.89,-10.5,;20.55,-11.28,;19.22,-10.5,;17.88,-11.27,;16.55,-10.5,;16.55,-8.95,;15.22,-8.18,;13.89,-8.95,;13.89,-10.5,;15.22,-11.26,;12.55,-8.19,;11.22,-8.96,;11.22,-10.5,;9.88,-8.2,;9.88,-6.66,;8.55,-5.89,;7.22,-6.67,;7.23,-8.22,;8.56,-8.97,;5.89,-8.99,;5.74,-10.52,;4.23,-10.86,;3.45,-9.53,;4.48,-8.37,;8.55,-4.35,;7.3,-3.45,;7.77,-2,;9.32,-1.98,;9.79,-3.45,)| InChI=1S/C21H25N5O3S/c1-28-8-9-29-17-4-2-16(3-5-17)24-21(27)15-10-18(19-12-23-14-30-19)25-20(11-15)26-7-6-22-13-26/h6-7,10-14,16-17H,2-5,8-9H2,1H3,(H,24,27) NUWZSQFSITUPDE-UHFFFAOYSA-N 50580348 CHEMBL5082935::US12514858, Example 1 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 60.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580348 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=50580348&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 156885803 476025353 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131734 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)nc(-c3cncs3)c2)CC1 InChI=1S/C21H24N4O3S2/c1-27-6-7-28-16-4-2-15(3-5-16)24-21(26)14-8-17(19-10-22-12-29-19)25-18(9-14)20-11-23-13-30-20/h8-13,15-16H,2-7H2,1H3,(H,24,26) QMEYCBZOPRLGGU-UHFFFAOYSA-N 114906 US12514858, Example 2 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens >100.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114906 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114906&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 2537513 252664369 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131735 COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc(c1)-c1cncs1)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(51.17,-11.37,;49.83,-10.59,;48.5,-11.37,;47.16,-10.59,;45.82,-11.36,;44.5,-10.59,;44.5,-9.05,;43.17,-8.27,;41.84,-9.05,;41.84,-10.59,;43.17,-11.35,;40.5,-8.28,;39.16,-9.05,;39.17,-10.59,;37.83,-8.29,;36.5,-9.06,;35.17,-8.31,;35.17,-6.76,;36.49,-5.98,;37.83,-6.75,;36.49,-4.45,;35.25,-3.55,;35.72,-2.08,;37.26,-2.09,;37.73,-3.54,;33.84,-9.08,;33.69,-10.62,;32.19,-10.95,;31.41,-9.62,;29.87,-9.47,;32.43,-8.47,)| InChI=1S/C22H27N5O3S/c1-27-13-16(11-24-27)19-9-15(10-20(26-19)21-12-23-14-31-21)22(28)25-17-3-5-18(6-4-17)30-8-7-29-2/h9-14,17-18H,3-8H2,1-2H3,(H,25,28) WKBLUKVFPQWFBO-UHFFFAOYSA-N 50580349 CHEMBL5070314::US12514858, Example 3 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 34.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580349 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=50580349&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 156885752 476025354 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131736 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)nc(C(F)(F)F)c2)CC1 InChI=1S/C19H22F3N3O3S/c1-27-6-7-28-14-4-2-13(3-5-14)24-18(26)12-8-15(16-10-23-11-29-16)25-17(9-12)19(20,21)22/h8-11,13-14H,2-7H2,1H3,(H,24,26) SQJANLLQMLXTOS-UHFFFAOYSA-N 114909 US12514858, Example 4 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 3500 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114909 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114909&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 3323342 252664371 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131737 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)nc(-c3cncs3)n2)CC1 InChI=1S/C20H23N5O3S2/c1-27-6-7-28-14-4-2-13(3-5-14)23-20(26)16-8-15(17-9-21-11-29-17)24-19(25-16)18-10-22-12-30-18/h8-14H,2-7H2,1H3,(H,23,26) DVDAXFHAMUPSCY-UHFFFAOYSA-N 114910 US12514858, Example 5 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 256 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114910 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114910&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 6892628 252664372 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131738 COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc(n1)-c1cncs1)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(81.48,-11.66,;80.14,-10.88,;78.81,-11.65,;77.47,-10.88,;76.14,-11.65,;74.81,-10.87,;74.81,-9.33,;73.48,-8.56,;72.15,-9.33,;72.15,-10.87,;73.48,-11.64,;70.81,-8.57,;69.48,-9.34,;69.48,-10.88,;68.14,-8.58,;66.82,-9.35,;65.49,-8.59,;65.48,-7.05,;66.8,-6.27,;68.14,-7.04,;66.8,-4.73,;65.56,-3.84,;66.03,-2.37,;67.57,-2.37,;68.05,-3.83,;64.16,-9.37,;64.01,-10.9,;62.5,-11.24,;61.72,-9.91,;60.18,-9.76,;62.74,-8.76,)| InChI=1S/C21H26N6O3S/c1-27-12-14(10-23-27)17-9-18(26-20(25-17)19-11-22-13-31-19)21(28)24-15-3-5-16(6-4-15)30-8-7-29-2/h9-13,15-16H,3-8H2,1-2H3,(H,24,28) SYUVOKDGEFQUSU-UHFFFAOYSA-N 50580350 CHEMBL5072634::US12514858, Example 6 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 53.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580350 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=50580350&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 156885909 476025355 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131739 COCCO[C@H]1CC[C@H](NC(=O)c2cc(SC)nc(-c3cncs3)n2)CC1 InChI=1S/C18H24N4O3S2/c1-24-7-8-25-13-5-3-12(4-6-13)20-18(23)14-9-16(26-2)22-17(21-14)15-10-19-11-27-15/h9-13H,3-8H2,1-2H3,(H,20,23) JGCNZLCPUCHTTP-UHFFFAOYSA-N 114912 US12514858, Example 7 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens >10000 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114912 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114912&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 5346517 252664374 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131740 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cnn(C)c3)cc(-c3cncs3)n2)CC1 InChI=1S/C22H27N5O3S/c1-27-13-16(11-24-27)15-9-19(21-12-23-14-31-21)26-20(10-15)22(28)25-17-3-5-18(6-4-17)30-8-7-29-2/h9-14,17-18H,3-8H2,1-2H3,(H,25,28) QQDRCZLYMCUNRI-UHFFFAOYSA-N 114913 US12514858, Example 8 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 286 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114913 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114913&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 3628746 252664375 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131741 COCCO[C@H]1CC[C@H](NC(=O)c2cccc(-c3cncs3)n2)CC1 InChI=1S/C18H23N3O3S/c1-23-9-10-24-14-7-5-13(6-8-14)20-18(22)16-4-2-3-15(21-16)17-11-19-12-25-17/h2-4,11-14H,5-10H2,1H3,(H,20,22) ZXTJFEWMUWHXCX-UHFFFAOYSA-N 114914 US12514858, Example 9 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 10000 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114914 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114914&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 5931120 252664376 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131742 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc(-c3cncs3)n2)CC1 InChI=1S/C21H25N5O3S/c1-28-8-9-29-17-4-2-15(3-5-17)24-21(27)19-11-16(26-7-6-22-13-26)10-18(25-19)20-12-23-14-30-20/h6-7,10-15,17H,2-5,8-9H2,1H3,(H,24,27) GLATXQSSMXXSPG-UHFFFAOYSA-N 114915 US12514858, Example 10 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 4900 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114915 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114915&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 3498692 252664377 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131743 COCCO[C@H]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)n2)CC1 InChI=1S/C18H24N4O3/c1-24-11-12-25-15-7-5-14(6-8-15)20-18(23)16-3-2-4-17(21-16)22-10-9-19-13-22/h2-4,9-10,13-15H,5-8,11-12H2,1H3,(H,20,23) OIGJBJUNACGOMN-UHFFFAOYSA-N 114916 US12514858, Example Ex ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 49.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114916 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114916&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 5355550 252664378 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131744 COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(24.25,-27.1,;22.92,-26.32,;21.58,-27.09,;20.25,-26.32,;18.91,-27.09,;17.59,-26.31,;17.59,-24.77,;16.26,-24,;14.93,-24.77,;14.93,-26.31,;16.26,-27.08,;13.59,-24.01,;12.26,-24.78,;12.26,-26.32,;10.92,-24.02,;9.6,-24.79,;8.27,-24.04,;8.26,-22.49,;9.59,-21.71,;10.92,-22.48,;9.58,-20.17,;8.34,-19.27,;8.81,-17.8,;10.35,-17.8,;10.83,-19.26,;6.93,-24.82,;6.78,-26.35,;5.27,-26.69,;4.49,-25.35,;2.96,-25.2,;5.51,-24.2,)| InChI=1S/C22H28N6O3/c1-27-14-17(13-24-27)16-11-20(26-21(12-16)28-8-7-23-15-28)22(29)25-18-3-5-19(6-4-18)31-10-9-30-2/h7-8,11-15,18-19H,3-6,9-10H2,1-2H3,(H,25,29) CQIDSTYZPZRJJW-UHFFFAOYSA-N 50580351 CHEMBL5083478::US12514858, Example 12 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580351 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=50580351&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 156885939 476025356 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131745 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cnn(C(C)C)c3)cc(-n3ccnc3)n2)CC1 InChI=1S/C24H32N6O3/c1-17(2)30-15-19(14-26-30)18-12-22(28-23(13-18)29-9-8-25-16-29)24(31)27-20-4-6-21(7-5-20)33-11-10-32-3/h8-9,12-17,20-21H,4-7,10-11H2,1-3H3,(H,27,31) JQWQXXCTWLMNRW-UHFFFAOYSA-N 114918 US12514858, Example 13 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 40.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114918 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114918&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 2227970 252664380 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131746 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3c(C)nn(C)c3C)cc(-n3ccnc3)n2)CC1 InChI=1S/C24H32N6O3/c1-16-23(17(2)29(3)28-16)18-13-21(27-22(14-18)30-10-9-25-15-30)24(31)26-19-5-7-20(8-6-19)33-12-11-32-4/h9-10,13-15,19-20H,5-8,11-12H2,1-4H3,(H,26,31) NKOBZYBEXFOYQJ-UHFFFAOYSA-N 114919 US12514858, Example 14 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 24.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114919 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114919&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 795859 252664381 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131747 COCCO[C@H]1CC[C@H](NC(=O)c2cc(N)cc(-n3ccnc3)n2)CC1 InChI=1S/C18H25N5O3/c1-25-8-9-26-15-4-2-14(3-5-15)21-18(24)16-10-13(19)11-17(22-16)23-7-6-20-12-23/h6-7,10-12,14-15H,2-5,8-9H2,1H3,(H2,19,22)(H,21,24) RGVPTJYGBFYATO-UHFFFAOYSA-N 114920 US12514858, Example 15 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 42.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114920 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114920&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 790574 252664382 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131748 COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-n1ccnc1 |r,wU:8.11,wD:5.4,(50.94,-27.34,;49.61,-26.56,;48.27,-27.33,;46.94,-26.56,;45.61,-27.33,;44.27,-26.55,;44.27,-25.01,;42.94,-24.24,;41.61,-25.01,;41.61,-26.55,;42.94,-27.32,;40.27,-24.25,;38.94,-25.02,;38.94,-26.56,;37.6,-24.26,;36.29,-25.03,;34.95,-24.28,;34.94,-22.73,;36.27,-21.95,;37.6,-22.72,;36.27,-20.41,;35.01,-19.51,;35.48,-18.04,;37.03,-18.04,;37.5,-19.5,;33.62,-25.06,;33.47,-26.59,;31.96,-26.93,;31.18,-25.6,;32.2,-24.44,)| InChI=1S/C21H26N6O3/c1-29-10-11-30-18-4-2-16(3-5-18)24-21(28)19-12-17(26-8-6-22-14-26)13-20(25-19)27-9-7-23-15-27/h6-9,12-16,18H,2-5,10-11H2,1H3,(H,24,28) GKMLTGCXDKZHFH-UHFFFAOYSA-N 50580352 CHEMBL5091229::US12514858, Example 16 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 6.80 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580352 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=50580352&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 156885878 476025357 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131749 COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-c1cncs1 |r,wU:8.11,wD:5.4,(79.63,-28.03,;78.29,-27.25,;76.96,-28.02,;75.62,-27.25,;74.29,-28.02,;72.96,-27.24,;72.96,-25.7,;71.63,-24.93,;70.3,-25.7,;70.3,-27.24,;71.63,-28.01,;68.96,-24.94,;67.63,-25.71,;67.63,-27.25,;66.29,-24.95,;64.98,-25.72,;63.64,-24.96,;63.63,-23.42,;64.97,-22.64,;66.29,-23.41,;64.96,-21.1,;63.71,-20.2,;64.18,-18.73,;65.72,-18.73,;66.19,-20.19,;62.31,-25.75,;62.16,-27.28,;60.65,-27.62,;59.87,-26.29,;60.9,-25.13,)| InChI=1S/C21H25N5O3S/c1-28-8-9-29-17-4-2-16(3-5-17)24-21(27)18-10-15(19-12-23-14-30-19)11-20(25-18)26-7-6-22-13-26/h6-7,10-14,16-17H,2-5,8-9H2,1H3,(H,24,27) HZHNJDAEFNMYMR-UHFFFAOYSA-N 50580353 CHEMBL5076855::US12514858, Example 17 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580353 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=50580353&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 166626920 476025358 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131750 COCCO[C@H]1CC[C@H](NC(=O)c2cc(Cl)cc(-n3ccnc3)n2)CC1 InChI=1S/C18H23ClN4O3/c1-25-8-9-26-15-4-2-14(3-5-15)21-18(24)16-10-13(19)11-17(22-16)23-7-6-20-12-23/h6-7,10-12,14-15H,2-5,8-9H2,1H3,(H,21,24) IQMZRAQPYXZFMN-UHFFFAOYSA-N 114924 US12514858, Example 18 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 16.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114924 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114924&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 759617 252664386 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131751 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)cc(-n3ccnc3)n2)CC1 InChI=1S/C19H23F3N4O3/c1-28-8-9-29-15-4-2-14(3-5-15)24-18(27)16-10-13(19(20,21)22)11-17(25-16)26-7-6-23-12-26/h6-7,10-12,14-15H,2-5,8-9H2,1H3,(H,24,27) MVTVPFZLQRPKHW-UHFFFAOYSA-N 114925 US12514858, Example 19 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 45.9 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114925 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114925&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 828085 252664387 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131752 COCCO[C@H]1CC[C@H](NC(=O)c2cc(F)cc(-n3ccnc3)n2)CC1 InChI=1S/C18H23FN4O3/c1-25-8-9-26-15-4-2-14(3-5-15)21-18(24)16-10-13(19)11-17(22-16)23-7-6-20-12-23/h6-7,10-12,14-15H,2-5,8-9H2,1H3,(H,21,24) QXLDRNYQJBSRMD-UHFFFAOYSA-N 114926 US12514858, Example 20 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 21.5 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114926 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114926&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 54683801 252664388 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131753 COCCO[C@H]1CC[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)CC1 InChI=1S/C18H24N4O3/c1-24-10-11-25-16-4-2-15(3-5-16)21-18(23)14-6-7-20-17(12-14)22-9-8-19-13-22/h6-9,12-13,15-16H,2-5,10-11H2,1H3,(H,21,23) ROHVSWYPCYJUQD-UHFFFAOYSA-N 114927 US12514858, Example 21 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 996 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114927 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114927&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 1829088 252664389 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131754 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)nc(-n3ccnc3)c2)CC1 InChI=1S/C21H26N6O3/c1-29-10-11-30-18-4-2-17(3-5-18)24-21(28)16-12-19(26-8-6-22-14-26)25-20(13-16)27-9-7-23-15-27/h6-9,12-15,17-18H,2-5,10-11H2,1H3,(H,24,28) XMHQFQHGHKOFFW-UHFFFAOYSA-N 114928 US12514858, Example 22 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 17.9 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114928 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114928&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 16824683 252664390 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131755 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cnn(C)c3)nc(-n3ccnc3)c2)CC1 InChI=1S/C22H28N6O3/c1-27-14-17(13-24-27)20-11-16(12-21(26-20)28-8-7-23-15-28)22(29)25-18-3-5-19(6-4-18)31-10-9-30-2/h7-8,11-15,18-19H,3-6,9-10H2,1-2H3,(H,25,29) SLISFSLMTUIUMC-UHFFFAOYSA-N 114929 US12514858, Example 23 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 21.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114929 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114929&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 5601352 252664391 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131756 CCn1cc(-c2cc(C(=O)N[C@H]3CC[C@H](OCCOC)CC3)cc(-n3ccnc3)n2)cn1 InChI=1S/C23H30N6O3/c1-3-29-15-18(14-25-29)21-12-17(13-22(27-21)28-9-8-24-16-28)23(30)26-19-4-6-20(7-5-19)32-11-10-31-2/h8-9,12-16,19-20H,3-7,10-11H2,1-2H3,(H,26,30) RKNNHRYQLIDGBE-UHFFFAOYSA-N 114930 US12514858, Example 24 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 153 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114930 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114930&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 1104473 252664392 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131757 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cnn(C(C)C)c3)nc(-n3ccnc3)c2)CC1 InChI=1S/C24H32N6O3/c1-17(2)30-15-19(14-26-30)22-12-18(13-23(28-22)29-9-8-25-16-29)24(31)27-20-4-6-21(7-5-20)33-11-10-32-3/h8-9,12-17,20-21H,4-7,10-11H2,1-3H3,(H,27,31) OMUZQDWEYGGOLE-UHFFFAOYSA-N 114931 US12514858, Example 25 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 12.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114931 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114931&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 717647 252664393 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131758 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3ccn(C)n3)nc(-n3ccnc3)c2)CC1 InChI=1S/C22H28N6O3/c1-27-9-7-19(26-27)20-13-16(14-21(25-20)28-10-8-23-15-28)22(29)24-17-3-5-18(6-4-17)31-12-11-30-2/h7-10,13-15,17-18H,3-6,11-12H2,1-2H3,(H,24,29) JCYIIFHHIHSWHD-UHFFFAOYSA-N 114932 US12514858, Example 26 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 150 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114932 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114932&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 5837141 252664394 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131759 COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc(n1)-n1ccnc1)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(24.41,-42.35,;23.08,-41.58,;21.74,-42.35,;20.41,-41.57,;19.07,-42.34,;17.74,-41.57,;17.74,-40.03,;16.41,-39.25,;15.08,-40.03,;15.08,-41.57,;16.41,-42.33,;13.74,-39.26,;12.41,-40.03,;12.42,-41.58,;11.07,-39.27,;9.75,-40.05,;8.42,-39.29,;8.41,-37.74,;9.74,-36.96,;11.08,-37.73,;9.74,-35.42,;8.5,-34.52,;8.97,-33.05,;10.51,-33.05,;10.98,-34.51,;7.08,-40.07,;6.93,-41.6,;5.43,-41.94,;4.64,-40.61,;3.11,-40.46,;5.67,-39.45,)| InChI=1S/C21H27N7O3/c1-27-13-15(12-23-27)18-11-19(26-21(25-18)28-8-7-22-14-28)20(29)24-16-3-5-17(6-4-16)31-10-9-30-2/h7-8,11-14,16-17H,3-6,9-10H2,1-2H3,(H,24,29) FQJKHXKESKWNQK-UHFFFAOYSA-N 50580354 CHEMBL5076763::US12514858, Example 27 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 4.20 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580354 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=50580354&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 156885798 476025359 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131760 COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc(n1)-n1ccnc1 |r,wU:8.11,wD:5.4,(5.77,-.62,;5.77,.92,;7.11,1.69,;7.11,3.23,;5.77,4,;4.47,3.18,;3.11,3.9,;1.86,3.08,;1.86,1.54,;3.22,.82,;4.47,1.64,;.62,.72,;.62,-.82,;1.98,-1.54,;-.69,-1.64,;-.69,-3.18,;-1.92,-4,;-3.35,-3.29,;-3.35,-1.74,;-2.04,-.92,;-4.71,-1.03,;-6.09,-1.61,;-7.11,-.44,;-6.33,.88,;-4.83,.54,)| InChI=1S/C17H23N5O3/c1-24-10-11-25-14-4-2-13(3-5-14)20-16(23)15-6-7-19-17(21-15)22-9-8-18-12-22/h6-9,12-14H,2-5,10-11H2,1H3,(H,20,23) VRVSWYDJPDMHMT-UHFFFAOYSA-N 50628827 CHEMBL5397412::US12514858, Example 28 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 8.80 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50628827 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=50628827&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 156885842 505046799 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131761 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C)cc(-n3ccnc3)n2)CC1 InChI=1S/C19H26N4O3/c1-14-11-17(22-18(12-14)23-8-7-20-13-23)19(24)21-15-3-5-16(6-4-15)26-10-9-25-2/h7-8,11-13,15-16H,3-6,9-10H2,1-2H3,(H,21,24) GZDHCAARCYOCPF-UHFFFAOYSA-N 114935 US12514858, Example 29 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 31.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114935 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114935&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 2124983 252664397 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131762 COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc(-c3cnn(C)c3)n2)CC1 InChI=1S/C22H28N6O3/c1-27-14-16(13-24-27)20-11-18(28-8-7-23-15-28)12-21(26-20)22(29)25-17-3-5-19(6-4-17)31-10-9-30-2/h7-8,11-15,17,19H,3-6,9-10H2,1-2H3,(H,25,29) IAPDQUGHPVNCOS-UHFFFAOYSA-N 114936 US12514858, Example 30 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 429 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114936 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114936&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 24818453 252664398 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131763 O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-n2ccnc2)n1 InChI=1S/C15H18N4O2/c20-12-6-4-11(5-7-12)17-15(21)13-2-1-3-14(18-13)19-9-8-16-10-19/h1-3,8-12,20H,4-7H2,(H,17,21) WQNQWVJOHYYOMA-UHFFFAOYSA-N 114937 US12514858, Example 31 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 54.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114937 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114937&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 17583860 252664399 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131764 O=C(NC1CCCCC1)c1cccc(-n2ccnc2)n1 InChI=1S/C15H18N4O/c20-15(17-12-5-2-1-3-6-12)13-7-4-8-14(18-13)19-10-9-16-11-19/h4,7-12H,1-3,5-6H2,(H,17,20) IJVBDNBTJACYHF-UHFFFAOYSA-N 114938 US12514858, Example 32 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 53.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114938 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114938&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 44246852 252664400 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131765 CO[C@H]1CC[C@@H](CC1)NC(=O)c1cccc(n1)-n1ccnc1 |r,wU:5.8,wD:2.1,(6.38,4.77,;6.44,3.23,;5.14,2.41,;3.77,3.13,;2.47,2.31,;2.53,.77,;3.89,.05,;5.19,.87,;1.23,-.05,;1.28,-1.59,;2.65,-2.31,;-.02,-2.41,;.04,-3.95,;-1.25,-4.77,;-2.62,-4.06,;-2.68,-2.51,;-1.38,-1.69,;-4.04,-1.8,;-5.43,-2.38,;-6.44,-1.21,;-5.67,.11,;-4.16,-.23,)| InChI=1S/C16H20N4O2/c1-22-13-7-5-12(6-8-13)18-16(21)14-3-2-4-15(19-14)20-10-9-17-11-20/h2-4,9-13H,5-8H2,1H3,(H,18,21) VJFJTLGYLJVJMI-UHFFFAOYSA-N 50628814 CHEMBL5415804::US12514858, Example 33 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 52.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50628814 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=50628814&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 156885912 505046786 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131766 O=C(N[C@H]1CC[C@H](O)CC1)c1ccnc(-n2ccnc2)n1 InChI=1S/C14H17N5O2/c20-11-3-1-10(2-4-11)17-13(21)12-5-6-16-14(18-12)19-8-7-15-9-19/h5-11,20H,1-4H2,(H,17,21) JIYVJNOAIJIYBK-UHFFFAOYSA-N 114940 US12514858, Example 34 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 25.7 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114940 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114940&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 4038956 252664402 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131767 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C)nc(-n3ccnc3)n2)CC1 InChI=1S/C18H25N5O3/c1-13-11-16(22-18(20-13)23-8-7-19-12-23)17(24)21-14-3-5-15(6-4-14)26-10-9-25-2/h7-8,11-12,14-15H,3-6,9-10H2,1-2H3,(H,21,24) XXOZSVPYPBZUFG-UHFFFAOYSA-N 114941 US12514858, Example 35 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 7.40 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114941 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114941&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 248411 252664403 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131768 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)nc(-n3ccnc3)n2)CC1 InChI=1S/C18H22F3N5O3/c1-28-8-9-29-13-4-2-12(3-5-13)23-16(27)14-10-15(18(19,20)21)25-17(24-14)26-7-6-22-11-26/h6-7,10-13H,2-5,8-9H2,1H3,(H,23,27) HWLXMBQYDOMQFS-UHFFFAOYSA-N 114942 US12514858, Example 36 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 39.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114942 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114942&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 96396 252664404 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131769 COCCO[C@H]1CC[C@H](NC(=O)c2cc(SC)cc(-n3ccnc3)n2)CC1 InChI=1S/C19H26N4O3S/c1-25-9-10-26-15-5-3-14(4-6-15)21-19(24)17-11-16(27-2)12-18(22-17)23-8-7-20-13-23/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,21,24) XUNLMXDWSRQBQX-UHFFFAOYSA-N 114944 US12514858, Example 37 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 42.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114944 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114944&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 392740 252664406 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131770 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C(C)O)cc(-n3ccnc3)n2)CC1 InChI=1S/C20H28N4O4/c1-14(25)15-11-18(23-19(12-15)24-8-7-21-13-24)20(26)22-16-3-5-17(6-4-16)28-10-9-27-2/h7-8,11-14,16-17,25H,3-6,9-10H2,1-2H3,(H,22,26) CHMGGWABLDLYCA-UHFFFAOYSA-N 114945 US12514858, Example 38 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 310 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114945 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114945&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 5116624 252664407 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131771 COCCO[C@H]1CC[C@H](NC(=O)c2cc(S(C)(=O)=O)cc(-n3ccnc3)n2)CC1 InChI=1S/C19H26N4O5S/c1-27-9-10-28-15-5-3-14(4-6-15)21-19(24)17-11-16(29(2,25)26)12-18(22-17)23-8-7-20-13-23/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,21,24) VFPWIZNNBZOWHN-UHFFFAOYSA-N 114946 US12514858, Example 39 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 137 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114946 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114946&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 46943948 252664408 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131772 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C(C)(C)O)cc(-n3ccnc3)n2)CC1 InChI=1S/C21H30N4O4/c1-21(2,27)15-12-18(24-19(13-15)25-9-8-22-14-25)20(26)23-16-4-6-17(7-5-16)29-11-10-28-3/h8-9,12-14,16-17,27H,4-7,10-11H2,1-3H3,(H,23,26) RVUGHIKRVBFOLP-UHFFFAOYSA-N 114948 US12514858, Example 40 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 1900 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114948 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114948&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 2629614 252664410 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131773 O=C(N[C@H]1CC[C@H](OC(F)F)CC1)c1ccnc(-n2ccnc2)n1 InChI=1S/C15H17F2N5O2/c16-14(17)24-11-3-1-10(2-4-11)20-13(23)12-5-6-19-15(21-12)22-8-7-18-9-22/h5-11,14H,1-4H2,(H,20,23) ICTVCBUQGVWAQF-UHFFFAOYSA-N 114949 US12514858, Example 41 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 16.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114949 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114949&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 151582 252664411 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131774 Cc1cc(C(=O)N[C@H]2CC[C@H](OC(F)F)CC2)nc(-n2ccnc2)n1 InChI=1S/C16H19F2N5O2/c1-10-8-13(22-16(20-10)23-7-6-19-9-23)14(24)21-11-2-4-12(5-3-11)25-15(17)18/h6-9,11-12,15H,2-5H2,1H3,(H,21,24) IKWDQFXTGRDQGF-UHFFFAOYSA-N 114950 US12514858, Example 42 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 4.80 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114950 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114950&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 40197186 252664412 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131775 N#Cc1cc(C(=O)N[C@H]2CC[C@H](OCCOC)CC2)nc(-n2ccnc2)c1 InChI=1S/C19H23N5O3/c1-26-8-9-27-16-4-2-15(3-5-16)22-19(25)17-10-14(12-20)11-18(23-17)24-7-6-21-13-24/h6-7,10-11,13,15-16H,2-5,8-9H2,1H3,(H,22,25) ZLIMITAZUWSFNK-UHFFFAOYSA-N 114951 US12514858, Example 43 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 17.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114951 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114951&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 49790206 252664413 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131776 Cc1cc(C(=O)N[C@H]2CC[C@H](OCCO)CC2)nc(-n2ccnc2)n1 InChI=1S/C17H23N5O3/c1-12-10-15(21-17(19-12)22-7-6-18-11-22)16(24)20-13-2-4-14(5-3-13)25-9-8-23/h6-7,10-11,13-14,23H,2-5,8-9H2,1H3,(H,20,24) VVGXXJZYPYQNQX-UHFFFAOYSA-N 114952 US12514858, Example 44 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 12.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114952 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114952&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 49790913 252664414 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131777 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C(=O)O)nc(-n3ccnc3)n2)CC1 InChI=1S/C18H23N5O5/c1-27-8-9-28-13-4-2-12(3-5-13)20-16(24)14-10-15(17(25)26)22-18(21-14)23-7-6-19-11-23/h6-7,10-13H,2-5,8-9H2,1H3,(H,20,24)(H,25,26) CSRZFRVQYMZCOV-UHFFFAOYSA-N 114953 US12514858, Example 45 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 28.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114953 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114953&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 49792129 252664415 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131778 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C)nc(-n3ccnc3)c2)CC1 InChI=1S/C19H26N4O3/c1-14-11-15(12-18(21-14)23-8-7-20-13-23)19(24)22-16-3-5-17(6-4-16)26-10-9-25-2/h7-8,11-13,16-17H,3-6,9-10H2,1-2H3,(H,22,24) XCFXQLNJXDJNQF-UHFFFAOYSA-N 114954 US12514858, Example 46 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 144 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114954 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114954&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 4750125 252664416 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131779 N#Cc1cc(C(=O)N[C@H]2CC[C@H](OCCOC)CC2)nc(-n2ccnc2)n1 InChI=1S/C18H22N6O3/c1-26-8-9-27-15-4-2-13(3-5-15)21-17(25)16-10-14(11-19)22-18(23-16)24-7-6-20-12-24/h6-7,10,12-13,15H,2-5,8-9H2,1H3,(H,21,25) YXUVEFRWSOAYLS-UHFFFAOYSA-N 114955 US12514858, Example 47 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 31.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114955 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114955&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 51359022 252664417 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131780 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C(N)=O)nc(-n3ccnc3)n2)CC1 InChI=1S/C18H24N6O4/c1-27-8-9-28-13-4-2-12(3-5-13)21-17(26)15-10-14(16(19)25)22-18(23-15)24-7-6-20-11-24/h6-7,10-13H,2-5,8-9H2,1H3,(H2,19,25)(H,21,26) ZUOHPAAPYPVRLZ-UHFFFAOYSA-N 114956 US12514858, Example 48 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 18.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114956 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114956&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 51359072 252664418 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131781 COCCO[C@H]1CC[C@H](NC(=O)c2cc(CO)nc(-n3ccnc3)n2)CC1 InChI=1S/C18H25N5O4/c1-26-8-9-27-15-4-2-13(3-5-15)20-17(25)16-10-14(11-24)21-18(22-16)23-7-6-19-12-23/h6-7,10,12-13,15,24H,2-5,8-9,11H2,1H3,(H,20,25) VYMOTPCAMDDFBT-UHFFFAOYSA-N 114957 US12514858, Example 49 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 15.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114957 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114957&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 51360027 252664419 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131782 [2H]c1nc([2H])n(-c2nc(C)cc(C(=O)N[C@H]3CC[C@H](OCCOC)CC3)n2)c1[2H] InChI=1S/C18H25N5O3/c1-13-11-16(22-18(20-13)23-8-7-19-12-23)17(24)21-14-3-5-15(6-4-14)26-10-9-25-2/h7-8,11-12,14-15H,3-6,9-10H2,1-2H3,(H,21,24)/i7D,8D,12D XXOZSVPYPBZUFG-MEOJYOQJSA-N 114958 US12514858, Example 50 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 14.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114958 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114958&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 51361078 252664420 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131783 COCCO[C@H]1CC[C@H](NC(=O)c2cc(CF)nc(-n3ccnc3)n2)CC1 InChI=1S/C18H24FN5O3/c1-26-8-9-27-15-4-2-13(3-5-15)21-17(25)16-10-14(11-19)22-18(23-16)24-7-6-20-12-24/h6-7,10,12-13,15H,2-5,8-9,11H2,1H3,(H,21,25) LOCMVJWNCGRURT-UHFFFAOYSA-N 114959 US12514858, Example 51 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 17.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114959 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114959&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 53301614 252664421 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131784 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C(F)F)nc(-n3ccnc3)n2)CC1 InChI=1S/C18H23F2N5O3/c1-27-8-9-28-13-4-2-12(3-5-13)22-17(26)15-10-14(16(19)20)23-18(24-15)25-7-6-21-11-25/h6-7,10-13,16H,2-5,8-9H2,1H3,(H,22,26) YGFGWRMTANKRDG-UHFFFAOYSA-N 114961 US12514858, Example 52 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 89.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114961 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114961&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 53491452 252664423 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131785 CCS(=O)(=O)N[C@H]1CC[C@H](NC(=O)c2ccnc(-n3ccnc3)n2)CC1 InChI=1S/C16H22N6O3S/c1-2-26(24,25)21-13-5-3-12(4-6-13)19-15(23)14-7-8-18-16(20-14)22-10-9-17-11-22/h7-13,21H,2-6H2,1H3,(H,19,23) WGOAUSMRQLRXTR-UHFFFAOYSA-N 114962 US12514858, Example 53 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 16.6 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114962 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114962&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 646454 252664424 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131786 CO[C@]1(C)CC[C@@H](NC(=O)c2ccnc(-n3ccnc3)n2)CC1 InChI=1S/C16H21N5O2/c1-16(23-2)6-3-12(4-7-16)19-14(22)13-5-8-18-15(20-13)21-10-9-17-11-21/h5,8-12H,3-4,6-7H2,1-2H3,(H,19,22) AXUGDJFXDXQGLY-UHFFFAOYSA-N 114963 US12514858, Example 54 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 28.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114963 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114963&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 652872 252664425 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131787 C[C@]1(O)CC[C@@H](NC(=O)c2ccnc(-n3ccnc3)n2)CC1 InChI=1S/C15H19N5O2/c1-15(22)5-2-11(3-6-15)18-13(21)12-4-7-17-14(19-12)20-9-8-16-10-20/h4,7-11,22H,2-3,5-6H2,1H3,(H,18,21) OFSOPYWAOZSNHN-UHFFFAOYSA-N 114964 US12514858, Example 55 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 286 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114964 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114964&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 9568654 252664426 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131788 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C3CC3)nc(-n3ccnc3)n2)CC1 InChI=1S/C20H27N5O3/c1-27-10-11-28-16-6-4-15(5-7-16)22-19(26)18-12-17(14-2-3-14)23-20(24-18)25-9-8-21-13-25/h8-9,12-16H,2-7,10-11H2,1H3,(H,22,26) HNLRTYPNCRGCTL-UHFFFAOYSA-N 114966 US12514858, Example 56 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 50.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114966 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114966&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 678599 252664428 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131789 C=Cc1cc(C(=O)N[C@H]2CC[C@H](OCCOC)CC2)nc(-n2ccnc2)c1 InChI=1S/C20H26N4O3/c1-3-15-12-18(23-19(13-15)24-9-8-21-14-24)20(25)22-16-4-6-17(7-5-16)27-11-10-26-2/h3,8-9,12-14,16-17H,1,4-7,10-11H2,2H3,(H,22,25) NIQDDOGDYFUSPU-UHFFFAOYSA-N 114967 US12514858, Example 57 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 40.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114967 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114967&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 3245765 252664429 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131790 CCO[C@H]1CC[C@H](NC(=O)c2ccnc(-n3ccnc3)n2)CC1 InChI=1S/C16H21N5O2/c1-2-23-13-5-3-12(4-6-13)19-15(22)14-7-8-18-16(20-14)21-10-9-17-11-21/h7-13H,2-6H2,1H3,(H,19,22) GLEMVXBXHGEZNZ-UHFFFAOYSA-N 114968 US12514858, Example 58 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 16.5 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114968 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114968&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 1946188 252664430 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131791 COCCO[C@H]1CC[C@H](NC(=O)c2cc(C(F)F)cc(-n3ccnc3)n2)CC1 InChI=1S/C19H24F2N4O3/c1-27-8-9-28-15-4-2-14(3-5-15)23-19(26)16-10-13(18(20)21)11-17(24-16)25-7-6-22-12-25/h6-7,10-12,14-15,18H,2-5,8-9H2,1H3,(H,23,26) ULFTZGFVZSXURR-UHFFFAOYSA-N 114969 US12514858, Example 59 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 20.9 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114969 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114969&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 1245366 252664431 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131792 COCCO[C@H]1CC[C@@H](NC(=O)c2cc(C)nc(-n3ccnc3)n2)CC1 InChI=1S/C18H25N5O3/c1-13-11-16(22-18(20-13)23-8-7-19-12-23)17(24)21-14-3-5-15(6-4-14)26-10-9-25-2/h7-8,11-12,14-15H,3-6,9-10H2,1-2H3,(H,21,24) XXOZSVPYPBZUFG-UHFFFAOYSA-N 114970 US12514858, Example 60 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 2.40 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114970 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114970&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 5307919 252664432 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131793 COC(C)(C)CO[C@H]1CC[C@H](NC(=O)c2cc(C)nc(-n3ccnc3)n2)CC1 InChI=1S/C20H29N5O3/c1-14-11-17(24-19(22-14)25-10-9-21-13-25)18(26)23-15-5-7-16(8-6-15)28-12-20(2,3)27-4/h9-11,13,15-16H,5-8,12H2,1-4H3,(H,23,26) IQFSFDQEBVAFSA-UHFFFAOYSA-N 114971 US12514858, Example 61 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 13.4 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114971 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114971&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 2148465 252664433 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131794 COCCO[C@H]1CC[C@H](NC(=O)c2cc(OC)cc(-n3ccnc3)n2)CC1 InChI=1S/C19H26N4O4/c1-25-9-10-27-15-5-3-14(4-6-15)21-19(24)17-11-16(26-2)12-18(22-17)23-8-7-20-13-23/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,21,24) SWQBFBJXCJSSFB-UHFFFAOYSA-N 114972 US12514858, Example 62 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 86.7 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114972 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114972&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 5310341 252664434 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131795 CO[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc(n1)-n1ccnc1 |r,wU:5.8,wD:2.1,(6.38,4.77,;6.44,3.23,;5.13,2.41,;3.77,3.13,;2.47,2.31,;2.53,.77,;3.89,.05,;5.19,.87,;1.23,-.05,;1.28,-1.59,;2.65,-2.31,;-.02,-2.41,;.04,-3.95,;-1.25,-4.77,;-2.62,-4.06,;-2.68,-2.51,;-1.38,-1.69,;-4.04,-1.8,;-5.43,-2.38,;-6.44,-1.21,;-5.67,.11,;-4.16,-.23,)| InChI=1S/C15H19N5O2/c1-22-12-4-2-11(3-5-12)18-14(21)13-6-7-17-15(19-13)20-9-8-16-10-20/h6-12H,2-5H2,1H3,(H,18,21) QEJGXNPREYJPFV-UHFFFAOYSA-N 50628817 CHEMBL5432974::US12514858, Example 63 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 12.0 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50628817 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=50628817&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 166481632 505046789 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131796 C[C@]1(O)CC[C@H](NC(=O)c2ccnc(-n3ccnc3)n2)CC1 InChI=1S/C15H19N5O2/c1-15(22)5-2-11(3-6-15)18-13(21)12-4-7-17-14(19-12)20-9-8-16-10-20/h4,7-11,22H,2-3,5-6H2,1H3,(H,18,21) OFSOPYWAOZSNHN-UHFFFAOYSA-N 114974 US12514858, Example 64 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 91.1 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114974 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114974&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 5310488 252664436 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4 131797 COCCO[C@H]1C[C@H](NC(=O)c2ccnc(-n3ccnc3)n2)C1 InChI=1S/C15H19N5O3/c1-22-6-7-23-12-8-11(9-12)18-14(21)13-2-3-17-15(19-13)20-5-4-16-10-20/h2-5,10-12H,6-9H2,1H3,(H,18,21) YPMORKSNNNBQNK-UHFFFAOYSA-N 114975 US12514858, Example 65 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Homo sapiens 227 US Patent 10.7270/Q2CN78QZ US12514858 Kulkarni, SS; Lagu, B; Wu, X 1/6/2026 5/18/2026 Astellas Engineered Small Molecules US http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114975 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003468&target=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+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=114975&enzyme=ADP-ribosyl+cyclase%2Fcyclic+ADP-ribose+hydrolase+1&column=ki&startPg=0&Increment=50&submit=Search 792220 252664437 1 MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI 9GOX,9SXI,8VAU,8P8C,8D0M,6VUA,6EDR,4CMH,1ZVM,9GOY,7DHA,8IL3,7DUO ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CD38_HUMAN P28907 O00121 O00122 Q96HY4