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 50035911 CCCCCCNC(=O)Oc1ccc2C3CC(CCN3C)c2c1 InChI=1S/C19H28N2O2/c1-3-4-5-6-10-20-19(22)23-15-7-8-16-17(13-15)14-9-11-21(2)18(16)12-14/h7-8,13-14,18H,3-6,9-12H2,1-2H3,(H,20,22) KFWGKECULQNZER-UHFFFAOYSA-N 50038740 Hexyl-carbamic acid 9-methyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL61274 Acetylcholinesterase Mus musculus 122 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038740 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1064&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038740&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 14857750 103946007 CHEMBL61274 1 MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 1Q84,1Q83,1KU6,9SNJ,9SND,8ORC,7R4E,7R3C,7R2F,7R0A,7R02,7QYN,7QB4,7QAK,6TD2,5FKJ,5EIH,5EIE,5EIA,5EHZ,5EHQ,5EHN,4BTL,4BC1,4BC0,3ZLV,3ZLU,3ZLT,2WLS,2HA3,2HA2,2HA0,2H9Y,2GYW,2GYV,2GYU,1N5R,1MAH,1J07,1J06,5DTJ,5DTI,1N5M,5HCU,1C2B,1C2O,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_MOUSE P21836 50060784 C1CCc2nc3ccccc3cc2C1 InChI=1S/C13H13N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,7,9H,2,4,6,8H2 RXBYRTSOWREATF-UHFFFAOYSA-N 50038731 1,2,3,4-Tetrahydro-acridine::CHEMBL292518 Acetylcholinesterase Mus musculus 136 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038731 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1064&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038731&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 155315 103945998 CHEMBL292518 1 MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 1Q84,1Q83,1KU6,9SNJ,9SND,8ORC,7R4E,7R3C,7R2F,7R0A,7R02,7QYN,7QB4,7QAK,6TD2,5FKJ,5EIH,5EIE,5EIA,5EHZ,5EHQ,5EHN,4BTL,4BC1,4BC0,3ZLV,3ZLU,3ZLT,2WLS,2HA3,2HA2,2HA0,2H9Y,2GYW,2GYV,2GYU,1N5R,1MAH,1J07,1J06,5DTJ,5DTI,1N5M,5HCU,1C2B,1C2O,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_MOUSE P21836 50060785 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25) RRGMXBQMCUKRLH-UHFFFAOYSA-N 10972 (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-heptylcarbamate::CHEMBL433041::Eptastigmine::Heptylphysostigmine Acetylcholinesterase Homo sapiens 110 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10972 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3619&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10972&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 65872 46511538 CHEMBL433041 1 MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL 4BDT,2X8B,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W,9F6R,8AEN,4PQE,7D9Q,7D9P,7D9O,6ZWE,6WVQ,6WVP,6WVO,6WVC,6WV1,6WUZ,6WUY,6WUV,6NTO,6NTN,6NTM,6NTL,6NTK,6NTH,6NTG,6NEA,6CQZ,6CQY,6CQX,6CQW,6CQV,6CQU,6CQT,5HFA,5HF9,5HF8,5HF6,5HF5,5FPQ,4M0F,4M0E,4EY8,4EY7,4EY6,4EY5,4EY4,7XN1,7E3H,7E3D,3LII,6F25,1B41,1MAA Acetylcholinesterase ACES_HUMAN P22303 A4D2E2 B7ZKZ0 D6W5X7 Q16169 Q29S23 Q2M324 Q504V3 Q53F46 Q86TM9 Q86YX9 Q9BXP7 50060786 CCCCCCNC(=O)Oc1ccc2C3CC(CCN3CC)c2c1 InChI=1S/C20H30N2O2/c1-3-5-6-7-11-21-20(23)24-16-8-9-17-18(14-16)15-10-12-22(4-2)19(17)13-15/h8-9,14-15,19H,3-7,10-13H2,1-2H3,(H,21,23) KVLGOUWOJOAJTC-UHFFFAOYSA-N 50038732 Hexyl-carbamic acid 9-ethyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL413549 Acetylcholinesterase Mus musculus 156 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038732 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1064&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038732&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 3074341 103945999 CHEMBL413549 1 MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 1Q84,1Q83,1KU6,9SNJ,9SND,8ORC,7R4E,7R3C,7R2F,7R0A,7R02,7QYN,7QB4,7QAK,6TD2,5FKJ,5EIH,5EIE,5EIA,5EHZ,5EHQ,5EHN,4BTL,4BC1,4BC0,3ZLV,3ZLU,3ZLT,2WLS,2HA3,2HA2,2HA0,2H9Y,2GYW,2GYV,2GYU,1N5R,1MAH,1J07,1J06,5DTJ,5DTI,1N5M,5HCU,1C2B,1C2O,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_MOUSE P21836 50060787 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19) PIJVFDBKTWXHHD-UHFFFAOYSA-N 50004000 CHEMBL94::physostigmine::Antilirium::Eserine::Physostol::(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate Acetylcholinesterase Homo sapiens 128 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004000 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3619&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004000&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 5983 103917788 CHEMBL94 DB00981 C06535 1 MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL 4BDT,2X8B,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W,9F6R,8AEN,4PQE,7D9Q,7D9P,7D9O,6ZWE,6WVQ,6WVP,6WVO,6WVC,6WV1,6WUZ,6WUY,6WUV,6NTO,6NTN,6NTM,6NTL,6NTK,6NTH,6NTG,6NEA,6CQZ,6CQY,6CQX,6CQW,6CQV,6CQU,6CQT,5HFA,5HF9,5HF8,5HF6,5HF5,5FPQ,4M0F,4M0E,4EY8,4EY7,4EY6,4EY5,4EY4,7XN1,7E3H,7E3D,3LII,6F25,1B41,1MAA Acetylcholinesterase ACES_HUMAN P22303 A4D2E2 B7ZKZ0 D6W5X7 Q16169 Q29S23 Q2M324 Q504V3 Q53F46 Q86TM9 Q86YX9 Q9BXP7 50060788 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25) RRGMXBQMCUKRLH-UHFFFAOYSA-N 10972 (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-heptylcarbamate::CHEMBL433041::Eptastigmine::Heptylphysostigmine Acetylcholinesterase Mus musculus 148 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10972 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1064&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10972&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 65872 46511538 CHEMBL433041 1 MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 1Q84,1Q83,1KU6,9SNJ,9SND,8ORC,7R4E,7R3C,7R2F,7R0A,7R02,7QYN,7QB4,7QAK,6TD2,5FKJ,5EIH,5EIE,5EIA,5EHZ,5EHQ,5EHN,4BTL,4BC1,4BC0,3ZLV,3ZLU,3ZLT,2WLS,2HA3,2HA2,2HA0,2H9Y,2GYW,2GYV,2GYU,1N5R,1MAH,1J07,1J06,5DTJ,5DTI,1N5M,5HCU,1C2B,1C2O,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_MOUSE P21836 50060789 CCCCCCNC(=O)Oc1ccc2C[C@H]3N(CC)CC[C@@]3(C)c2c1 InChI=1S/C21H32N2O2/c1-4-6-7-8-12-22-20(24)25-17-10-9-16-14-19-21(3,18(16)15-17)11-13-23(19)5-2/h9-10,15,19H,4-8,11-14H2,1-3H3,(H,22,24) UBWZQILFMCCHFE-UHFFFAOYSA-N 50038733 Hexyl-carbamic acid (3aS,8aR)-1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydro-indeno[2,1-b]pyrrol-5-yl ester::(3aS,8aR)-1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hexylcarbamate::CHEMBL413765 Acetylcholinesterase Homo sapiens 20 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038733 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3619&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038733&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 15751381 103946000 CHEMBL413765 1 MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL 4BDT,2X8B,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W,9F6R,8AEN,4PQE,7D9Q,7D9P,7D9O,6ZWE,6WVQ,6WVP,6WVO,6WVC,6WV1,6WUZ,6WUY,6WUV,6NTO,6NTN,6NTM,6NTL,6NTK,6NTH,6NTG,6NEA,6CQZ,6CQY,6CQX,6CQW,6CQV,6CQU,6CQT,5HFA,5HF9,5HF8,5HF6,5HF5,5FPQ,4M0F,4M0E,4EY8,4EY7,4EY6,4EY5,4EY4,7XN1,7E3H,7E3D,3LII,6F25,1B41,1MAA Acetylcholinesterase ACES_HUMAN P22303 A4D2E2 B7ZKZ0 D6W5X7 Q16169 Q29S23 Q2M324 Q504V3 Q53F46 Q86TM9 Q86YX9 Q9BXP7 50060790 CCCCCCCNC(=O)Oc1ccc2C3CC(CCN3C)c2c1 InChI=1S/C20H30N2O2/c1-3-4-5-6-7-11-21-20(23)24-16-8-9-17-18(14-16)15-10-12-22(2)19(17)13-15/h8-9,14-15,19H,3-7,10-13H2,1-2H3,(H,21,23) IPVXUJZZPDSBLD-UHFFFAOYSA-N 50038734 Heptyl-carbamic acid 9-methyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL64529 Acetylcholinesterase Mus musculus 159 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038734 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1064&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038734&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 14857751 103946001 CHEMBL64529 1 MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 1Q84,1Q83,1KU6,9SNJ,9SND,8ORC,7R4E,7R3C,7R2F,7R0A,7R02,7QYN,7QB4,7QAK,6TD2,5FKJ,5EIH,5EIE,5EIA,5EHZ,5EHQ,5EHN,4BTL,4BC1,4BC0,3ZLV,3ZLU,3ZLT,2WLS,2HA3,2HA2,2HA0,2H9Y,2GYW,2GYV,2GYU,1N5R,1MAH,1J07,1J06,5DTJ,5DTI,1N5M,5HCU,1C2B,1C2O,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_MOUSE P21836 50060791 CCN1CCC2CC1c1ccc(OC(=O)NC)cc21 InChI=1S/C15H20N2O2/c1-3-17-7-6-10-8-14(17)12-5-4-11(9-13(10)12)19-15(18)16-2/h4-5,9-10,14H,3,6-8H2,1-2H3,(H,16,18) SMRNNJFLKGLSBA-UHFFFAOYSA-N 50038735 Methyl-carbamic acid 9-ethyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL60379 Acetylcholinesterase Homo sapiens 171 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038735 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3619&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038735&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 14857748 103946002 CHEMBL60379 1 MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL 4BDT,2X8B,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W,9F6R,8AEN,4PQE,7D9Q,7D9P,7D9O,6ZWE,6WVQ,6WVP,6WVO,6WVC,6WV1,6WUZ,6WUY,6WUV,6NTO,6NTN,6NTM,6NTL,6NTK,6NTH,6NTG,6NEA,6CQZ,6CQY,6CQX,6CQW,6CQV,6CQU,6CQT,5HFA,5HF9,5HF8,5HF6,5HF5,5FPQ,4M0F,4M0E,4EY8,4EY7,4EY6,4EY5,4EY4,7XN1,7E3H,7E3D,3LII,6F25,1B41,1MAA Acetylcholinesterase ACES_HUMAN P22303 A4D2E2 B7ZKZ0 D6W5X7 Q16169 Q29S23 Q2M324 Q504V3 Q53F46 Q86TM9 Q86YX9 Q9BXP7 50060792 CCCCCCNC(=O)Oc1ccc2C3CC(C)(CCN3CC)c2c1 InChI=1S/C21H32N2O2/c1-4-6-7-8-12-22-20(24)25-16-9-10-17-18(14-16)21(3)11-13-23(5-2)19(17)15-21/h9-10,14,19H,4-8,11-13,15H2,1-3H3,(H,22,24) KLEWHGJJTJIPNR-UHFFFAOYSA-N 50038736 Hexyl-carbamic acid 9-ethyl-1-methyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL64633 Acetylcholinesterase Homo sapiens 133 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038736 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3619&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038736&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 3074344 103946003 CHEMBL64633 1 MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL 4BDT,2X8B,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W,9F6R,8AEN,4PQE,7D9Q,7D9P,7D9O,6ZWE,6WVQ,6WVP,6WVO,6WVC,6WV1,6WUZ,6WUY,6WUV,6NTO,6NTN,6NTM,6NTL,6NTK,6NTH,6NTG,6NEA,6CQZ,6CQY,6CQX,6CQW,6CQV,6CQU,6CQT,5HFA,5HF9,5HF8,5HF6,5HF5,5FPQ,4M0F,4M0E,4EY8,4EY7,4EY6,4EY5,4EY4,7XN1,7E3H,7E3D,3LII,6F25,1B41,1MAA Acetylcholinesterase ACES_HUMAN P22303 A4D2E2 B7ZKZ0 D6W5X7 Q16169 Q29S23 Q2M324 Q504V3 Q53F46 Q86TM9 Q86YX9 Q9BXP7 50060793 CCCCCCNC(=O)Oc1ccc2C3CC(CCN3CC)c2c1 InChI=1S/C20H30N2O2/c1-3-5-6-7-11-21-20(23)24-16-8-9-17-18(14-16)15-10-12-22(4-2)19(17)13-15/h8-9,14-15,19H,3-7,10-13H2,1-2H3,(H,21,23) KVLGOUWOJOAJTC-UHFFFAOYSA-N 50038732 Hexyl-carbamic acid 9-ethyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL413549 Acetylcholinesterase Homo sapiens 125 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038732 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3619&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038732&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 3074341 103945999 CHEMBL413549 1 MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL 4BDT,2X8B,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W,9F6R,8AEN,4PQE,7D9Q,7D9P,7D9O,6ZWE,6WVQ,6WVP,6WVO,6WVC,6WV1,6WUZ,6WUY,6WUV,6NTO,6NTN,6NTM,6NTL,6NTK,6NTH,6NTG,6NEA,6CQZ,6CQY,6CQX,6CQW,6CQV,6CQU,6CQT,5HFA,5HF9,5HF8,5HF6,5HF5,5FPQ,4M0F,4M0E,4EY8,4EY7,4EY6,4EY5,4EY4,7XN1,7E3H,7E3D,3LII,6F25,1B41,1MAA Acetylcholinesterase ACES_HUMAN P22303 A4D2E2 B7ZKZ0 D6W5X7 Q16169 Q29S23 Q2M324 Q504V3 Q53F46 Q86TM9 Q86YX9 Q9BXP7 50060794 CCCCCCCNC(=O)Oc1ccc2C3CC(CCN3C)c2c1 InChI=1S/C20H30N2O2/c1-3-4-5-6-7-11-21-20(23)24-16-8-9-17-18(14-16)15-10-12-22(2)19(17)13-15/h8-9,14-15,19H,3-7,10-13H2,1-2H3,(H,21,23) IPVXUJZZPDSBLD-UHFFFAOYSA-N 50038734 Heptyl-carbamic acid 9-methyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL64529 Acetylcholinesterase Homo sapiens 143 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038734 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3619&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038734&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 14857751 103946001 CHEMBL64529 1 MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL 4BDT,2X8B,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W,9F6R,8AEN,4PQE,7D9Q,7D9P,7D9O,6ZWE,6WVQ,6WVP,6WVO,6WVC,6WV1,6WUZ,6WUY,6WUV,6NTO,6NTN,6NTM,6NTL,6NTK,6NTH,6NTG,6NEA,6CQZ,6CQY,6CQX,6CQW,6CQV,6CQU,6CQT,5HFA,5HF9,5HF8,5HF6,5HF5,5FPQ,4M0F,4M0E,4EY8,4EY7,4EY6,4EY5,4EY4,7XN1,7E3H,7E3D,3LII,6F25,1B41,1MAA Acetylcholinesterase ACES_HUMAN P22303 A4D2E2 B7ZKZ0 D6W5X7 Q16169 Q29S23 Q2M324 Q504V3 Q53F46 Q86TM9 Q86YX9 Q9BXP7 50060795 CCCCCCCNC(=O)Oc1ccc2C3CC(C)(CCN3CC)c2c1 InChI=1S/C22H34N2O2/c1-4-6-7-8-9-13-23-21(25)26-17-10-11-18-19(15-17)22(3)12-14-24(5-2)20(18)16-22/h10-11,15,20H,4-9,12-14,16H2,1-3H3,(H,23,25) GTJDKKGEHMPRJD-UHFFFAOYSA-N 50038737 Heptyl-carbamic acid 9-ethyl-1-methyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL302168 Acetylcholinesterase Homo sapiens 159 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038737 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3619&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038737&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 14857745 103946004 CHEMBL302168 1 MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL 4BDT,2X8B,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W,9F6R,8AEN,4PQE,7D9Q,7D9P,7D9O,6ZWE,6WVQ,6WVP,6WVO,6WVC,6WV1,6WUZ,6WUY,6WUV,6NTO,6NTN,6NTM,6NTL,6NTK,6NTH,6NTG,6NEA,6CQZ,6CQY,6CQX,6CQW,6CQV,6CQU,6CQT,5HFA,5HF9,5HF8,5HF6,5HF5,5FPQ,4M0F,4M0E,4EY8,4EY7,4EY6,4EY5,4EY4,7XN1,7E3H,7E3D,3LII,6F25,1B41,1MAA Acetylcholinesterase ACES_HUMAN P22303 A4D2E2 B7ZKZ0 D6W5X7 Q16169 Q29S23 Q2M324 Q504V3 Q53F46 Q86TM9 Q86YX9 Q9BXP7 50060796 CCCCCCCNC(=O)Oc1ccc2C3CC(CCN3CC)c2c1 InChI=1S/C21H32N2O2/c1-3-5-6-7-8-12-22-21(24)25-17-9-10-18-19(15-17)16-11-13-23(4-2)20(18)14-16/h9-10,15-16,20H,3-8,11-14H2,1-2H3,(H,22,24) RNLWFDRAYXSZPJ-UHFFFAOYSA-N 50038738 Heptyl-carbamic acid 9-ethyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL292421 Acetylcholinesterase Mus musculus 153 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038738 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1064&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038738&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 14857744 103946005 CHEMBL292421 1 MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 1Q84,1Q83,1KU6,9SNJ,9SND,8ORC,7R4E,7R3C,7R2F,7R0A,7R02,7QYN,7QB4,7QAK,6TD2,5FKJ,5EIH,5EIE,5EIA,5EHZ,5EHQ,5EHN,4BTL,4BC1,4BC0,3ZLV,3ZLU,3ZLT,2WLS,2HA3,2HA2,2HA0,2H9Y,2GYW,2GYV,2GYU,1N5R,1MAH,1J07,1J06,5DTJ,5DTI,1N5M,5HCU,1C2B,1C2O,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_MOUSE P21836 50060797 CCCCNC(=O)Oc1ccc2C3CC(CCN3CC)c2c1 InChI=1S/C18H26N2O2/c1-3-5-9-19-18(21)22-14-6-7-15-16(12-14)13-8-10-20(4-2)17(15)11-13/h6-7,12-13,17H,3-5,8-11H2,1-2H3,(H,19,21) KDIDQSZYTUIGNY-UHFFFAOYSA-N 50038739 Butyl-carbamic acid 9-ethyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL60380 Acetylcholinesterase Homo sapiens 206 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038739 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3619&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038739&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 14857746 103946006 CHEMBL60380 1 MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL 4BDT,2X8B,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W,9F6R,8AEN,4PQE,7D9Q,7D9P,7D9O,6ZWE,6WVQ,6WVP,6WVO,6WVC,6WV1,6WUZ,6WUY,6WUV,6NTO,6NTN,6NTM,6NTL,6NTK,6NTH,6NTG,6NEA,6CQZ,6CQY,6CQX,6CQW,6CQV,6CQU,6CQT,5HFA,5HF9,5HF8,5HF6,5HF5,5FPQ,4M0F,4M0E,4EY8,4EY7,4EY6,4EY5,4EY4,7XN1,7E3H,7E3D,3LII,6F25,1B41,1MAA Acetylcholinesterase ACES_HUMAN P22303 A4D2E2 B7ZKZ0 D6W5X7 Q16169 Q29S23 Q2M324 Q504V3 Q53F46 Q86TM9 Q86YX9 Q9BXP7 50060799 CCCCCCNC(=O)Oc1ccc2C3CC(CCN3C)c2c1 InChI=1S/C19H28N2O2/c1-3-4-5-6-10-20-19(22)23-15-7-8-16-17(13-15)14-9-11-21(2)18(16)12-14/h7-8,13-14,18H,3-6,9-12H2,1-2H3,(H,20,22) KFWGKECULQNZER-UHFFFAOYSA-N 50038740 Hexyl-carbamic acid 9-methyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL61274 Acetylcholinesterase Homo sapiens 72 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038740 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3619&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038740&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 14857750 103946007 CHEMBL61274 1 MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL 4BDT,2X8B,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W,9F6R,8AEN,4PQE,7D9Q,7D9P,7D9O,6ZWE,6WVQ,6WVP,6WVO,6WVC,6WV1,6WUZ,6WUY,6WUV,6NTO,6NTN,6NTM,6NTL,6NTK,6NTH,6NTG,6NEA,6CQZ,6CQY,6CQX,6CQW,6CQV,6CQU,6CQT,5HFA,5HF9,5HF8,5HF6,5HF5,5FPQ,4M0F,4M0E,4EY8,4EY7,4EY6,4EY5,4EY4,7XN1,7E3H,7E3D,3LII,6F25,1B41,1MAA Acetylcholinesterase ACES_HUMAN P22303 A4D2E2 B7ZKZ0 D6W5X7 Q16169 Q29S23 Q2M324 Q504V3 Q53F46 Q86TM9 Q86YX9 Q9BXP7 50060800 CCCCCCNC(=O)Oc1ccc2C3CC(CCN3C)c2c1 InChI=1S/C19H28N2O2/c1-3-4-5-6-10-20-19(22)23-15-7-8-16-17(13-15)14-9-11-21(2)18(16)12-14/h7-8,13-14,18H,3-6,9-12H2,1-2H3,(H,20,22) KFWGKECULQNZER-UHFFFAOYSA-N 50038740 Hexyl-carbamic acid 9-methyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL61274 Acetylcholinesterase Mus musculus 148 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038740 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1064&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038740&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 14857750 103946007 CHEMBL61274 1 MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 1Q84,1Q83,1KU6,9SNJ,9SND,8ORC,7R4E,7R3C,7R2F,7R0A,7R02,7QYN,7QB4,7QAK,6TD2,5FKJ,5EIH,5EIE,5EIA,5EHZ,5EHQ,5EHN,4BTL,4BC1,4BC0,3ZLV,3ZLU,3ZLT,2WLS,2HA3,2HA2,2HA0,2H9Y,2GYW,2GYV,2GYU,1N5R,1MAH,1J07,1J06,5DTJ,5DTI,1N5M,5HCU,1C2B,1C2O,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_MOUSE P21836 50060801 CCCCCCCNC(=O)Oc1ccc2C3CC(CCN3CC)c2c1 InChI=1S/C21H32N2O2/c1-3-5-6-7-8-12-22-21(24)25-17-9-10-18-19(15-17)16-11-13-23(4-2)20(18)14-16/h9-10,15-16,20H,3-8,11-14H2,1-2H3,(H,22,24) RNLWFDRAYXSZPJ-UHFFFAOYSA-N 50038738 Heptyl-carbamic acid 9-ethyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL292421 Acetylcholinesterase Homo sapiens 169 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038738 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3619&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038738&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 14857744 103946005 CHEMBL292421 1 MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL 4BDT,2X8B,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W,9F6R,8AEN,4PQE,7D9Q,7D9P,7D9O,6ZWE,6WVQ,6WVP,6WVO,6WVC,6WV1,6WUZ,6WUY,6WUV,6NTO,6NTN,6NTM,6NTL,6NTK,6NTH,6NTG,6NEA,6CQZ,6CQY,6CQX,6CQW,6CQV,6CQU,6CQT,5HFA,5HF9,5HF8,5HF6,5HF5,5FPQ,4M0F,4M0E,4EY8,4EY7,4EY6,4EY5,4EY4,7XN1,7E3H,7E3D,3LII,6F25,1B41,1MAA Acetylcholinesterase ACES_HUMAN P22303 A4D2E2 B7ZKZ0 D6W5X7 Q16169 Q29S23 Q2M324 Q504V3 Q53F46 Q86TM9 Q86YX9 Q9BXP7 50060802 CCCCCCNC(=O)Oc1ccc2C[C@H]3N(CC)CC[C@@]3(C)c2c1 InChI=1S/C21H32N2O2/c1-4-6-7-8-12-22-20(24)25-17-10-9-16-14-19-21(3,18(16)15-17)11-13-23(19)5-2/h9-10,15,19H,4-8,11-14H2,1-3H3,(H,22,24) UBWZQILFMCCHFE-UHFFFAOYSA-N 50038733 Hexyl-carbamic acid (3aS,8aR)-1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydro-indeno[2,1-b]pyrrol-5-yl ester::(3aS,8aR)-1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hexylcarbamate::CHEMBL413765 Acetylcholinesterase Mus musculus 148 ChEMBL 10.1021/jm00039a013 10.7270/Q2BZ654H 8027982 Chen, YL; Liston, D; Nielsen, J; Chapin, D; Dunaiskis, A; Hedberg, K; Ives, J; Johnson, J; Jones, S 8/9/1994 11/10/2009 Pfizer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038733 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1064&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038733&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 15751381 103946000 CHEMBL413765 1 MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 1Q84,1Q83,1KU6,9SNJ,9SND,8ORC,7R4E,7R3C,7R2F,7R0A,7R02,7QYN,7QB4,7QAK,6TD2,5FKJ,5EIH,5EIE,5EIA,5EHZ,5EHQ,5EHN,4BTL,4BC1,4BC0,3ZLV,3ZLU,3ZLT,2WLS,2HA3,2HA2,2HA0,2H9Y,2GYW,2GYV,2GYU,1N5R,1MAH,1J07,1J06,5DTJ,5DTI,1N5M,5HCU,1C2B,1C2O,9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_MOUSE P21836