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 16626 C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21| InChI=1S/C20H30O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-17H,4-5,7-12H2,1-3H3 SPQYFKZBWJXPTC-UHFFFAOYSA-N 9955 (8S)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 18a Aromatase Homo sapiens 3.1 37 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9955 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9955&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644982 46510610 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16627 CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22| InChI=1S/C21H32O/c1-4-14-13-15-17-8-9-19(22)21(17,3)12-10-18(15)20(2)11-6-5-7-16(14)20/h7,14-15,17-18H,4-6,8-13H2,1-3H3 LEIWUALXUKRPTD-UHFFFAOYSA-N 9956 (8S)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 18b Aromatase Homo sapiens 14 110 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9956 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9956&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644983 46510611 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16628 CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23| InChI=1S/C22H34O/c1-4-7-15-14-16-18-9-10-20(23)22(18,3)13-11-19(16)21(2)12-6-5-8-17(15)21/h8,15-16,18-19H,4-7,9-14H2,1-3H3 FACSJNDEAKXXDF-UHFFFAOYSA-N 9957 (8S)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 18c Aromatase Homo sapiens 30 230 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9957 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9957&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644984 46510612 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16629 CCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25| InChI=1S/C24H38O/c1-4-5-6-9-17-16-18-20-11-12-22(25)24(20,3)15-13-21(18)23(2)14-8-7-10-19(17)23/h10,17-18,20-21H,4-9,11-16H2,1-3H3 XMTVISLAECGBLA-UHFFFAOYSA-N 9958 (8S)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 18d Aromatase Homo sapiens 400 9000 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9958 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9958&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644985 46510613 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16630 CCCCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28| InChI=1S/C27H44O/c1-4-5-6-7-8-9-12-20-19-21-23-14-15-25(28)27(23,3)18-16-24(21)26(2)17-11-10-13-22(20)26/h13,20-21,23-24H,4-12,14-19H2,1-3H3 ULWNKRZBEQGCRF-UHFFFAOYSA-N 9959 (8S)-2,15-dimethyl-8-octyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 18e Aromatase Homo sapiens 4100 >50000 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9959 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9959&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644986 46510614 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16631 C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21| InChI=1S/C20H30O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-17H,4-5,7-12H2,1-3H3 SPQYFKZBWJXPTC-UHFFFAOYSA-N 9960 (8R)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 19a Aromatase Homo sapiens 5.3 49 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9960 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9960&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644987 46510615 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16632 CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22| InChI=1S/C21H32O/c1-4-14-13-15-17-8-9-19(22)21(17,3)12-10-18(15)20(2)11-6-5-7-16(14)20/h7,14-15,17-18H,4-6,8-13H2,1-3H3 LEIWUALXUKRPTD-UHFFFAOYSA-N 9961 (8R)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 19b Aromatase Homo sapiens 43 320 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9961 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9961&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644988 46510616 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16633 CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23| InChI=1S/C22H34O/c1-4-7-15-14-16-18-9-10-20(23)22(18,3)13-11-19(16)21(2)12-6-5-8-17(15)21/h8,15-16,18-19H,4-7,9-14H2,1-3H3 FACSJNDEAKXXDF-UHFFFAOYSA-N 9962 (8R)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 19c Aromatase Homo sapiens 51 440 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9962 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9962&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644989 46510617 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16634 CCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25| InChI=1S/C24H38O/c1-4-5-6-9-17-16-18-20-11-12-22(25)24(20,3)15-13-21(18)23(2)14-8-7-10-19(17)23/h10,17-18,20-21H,4-9,11-16H2,1-3H3 XMTVISLAECGBLA-UHFFFAOYSA-N 9963 (8R)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 19d Aromatase Homo sapiens 1200 12000 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9963 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9963&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644990 46510618 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16635 CCCCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28| InChI=1S/C27H44O/c1-4-5-6-7-8-9-12-20-19-21-23-14-15-25(28)27(23,3)18-16-24(21)26(2)17-11-10-13-22(20)26/h13,20-21,23-24H,4-12,14-19H2,1-3H3 ULWNKRZBEQGCRF-UHFFFAOYSA-N 9964 (8R)-2,15-dimethyl-8-octyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 19e Aromatase Homo sapiens 2600 >50000 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9964 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9964&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644991 46510619 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16636 CC12CCC3C(C[C@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9| InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3 UPJODXGWEXHPEK-UHFFFAOYSA-N 9965 (8S)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 4a Aromatase Homo sapiens 21 190 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9965 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9965&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644992 46510620 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16637 CC(=O)O[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24| InChI=1S/C21H30O3/c1-13(22)24-18-12-14-15-7-8-19(23)21(15,3)11-9-16(14)20(2)10-5-4-6-17(18)20/h6,14-16,18H,4-5,7-12H2,1-3H3 OVURERDJMLXMHG-UHFFFAOYSA-N 9966 (8S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-8-yl acetate::6-Substituted Androst-4-ene Analog 4b Aromatase Homo sapiens 18 160 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9966 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9966&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644993 46510621 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16638 CO[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22| InChI=1S/C20H30O2/c1-19-10-5-4-6-16(19)17(22-3)12-13-14-7-8-18(21)20(14,2)11-9-15(13)19/h6,13-15,17H,4-5,7-12H2,1-3H3 BBWNGNWLDMFXAW-UHFFFAOYSA-N 9967 (8S)-8-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 4c Aromatase Homo sapiens 12 120 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9967 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9967&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644994 46510622 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16639 CC12CCC3C(C[C@@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9| InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3 UPJODXGWEXHPEK-UHFFFAOYSA-N 9968 (8R)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 5a Aromatase Homo sapiens 6 50 7.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9968 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9968&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644995 46510623 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16640 CC(=O)O[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24| InChI=1S/C21H30O3/c1-13(22)24-18-12-14-15-7-8-19(23)21(15,3)11-9-16(14)20(2)10-5-4-6-17(18)20/h6,14-16,18H,4-5,7-12H2,1-3H3 OVURERDJMLXMHG-UHFFFAOYSA-N 9969 (8R)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-8-yl acetate::6-Substituted Androst-4-ene Analog 5b Aromatase Homo sapiens 24 260 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9969 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9969&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644996 46510624 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16641 CO[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22| InChI=1S/C20H30O2/c1-19-10-5-4-6-16(19)17(22-3)12-13-14-7-8-18(21)20(14,2)11-9-15(13)19/h6,13-15,17H,4-5,7-12H2,1-3H3 BBWNGNWLDMFXAW-UHFFFAOYSA-N 9970 (8R)-8-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 5c Aromatase Homo sapiens 12 130 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9970 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9970&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644997 46510625 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16642 C[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21| InChI=1S/C20H32O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-18,21H,4-5,7-12H2,1-3H3 SNJUIXSSEIVANC-UHFFFAOYSA-N 9971 (8S)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol::6-Substituted Androst-4-ene Analog 14a Aromatase Homo sapiens 380 3700 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9971 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9971&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644998 46510626 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16643 CC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22| InChI=1S/C21H34O/c1-4-14-13-15-17-8-9-19(22)21(17,3)12-10-18(15)20(2)11-6-5-7-16(14)20/h7,14-15,17-19,22H,4-6,8-13H2,1-3H3 VTGGNLFKRWMFCH-UHFFFAOYSA-N 9972 (8S)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol::6-Substituted Androst-4-ene Analog 14b Aromatase Homo sapiens 180 1300 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9972 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9972&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23644999 46510627 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16644 CCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23| InChI=1S/C22H36O/c1-4-7-15-14-16-18-9-10-20(23)22(18,3)13-11-19(16)21(2)12-6-5-8-17(15)21/h8,15-16,18-20,23H,4-7,9-14H2,1-3H3 QPWLPAJYJGUKSR-UHFFFAOYSA-N 9973 (8S)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol::6-Substituted Androst-4-ene Analog 14c Aromatase Homo sapiens 2900 14000 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9973 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9973&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23645000 46510628 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16645 CCCCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25| InChI=1S/C24H40O/c1-4-5-6-9-17-16-18-20-11-12-22(25)24(20,3)15-13-21(18)23(2)14-8-7-10-19(17)23/h10,17-18,20-22,25H,4-9,11-16H2,1-3H3 PFMMKGGPOLDMEE-UHFFFAOYSA-N 9974 (8S)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol::6-Substituted Androst-4-ene Analog 14d Aromatase Homo sapiens 44000 >50000 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9974 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9974&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23645001 46510629 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16646 CCCCCCCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28| InChI=1S/C27H46O/c1-4-5-6-7-8-9-12-20-19-21-23-14-15-25(28)27(23,3)18-16-24(21)26(2)17-11-10-13-22(20)26/h13,20-21,23-25,28H,4-12,14-19H2,1-3H3 UYZADDOVTMAOQB-UHFFFAOYSA-N 9975 (8S)-2,15-dimethyl-8-octyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol::6-Substituted Androst-4-ene Analog 14e Aromatase Homo sapiens >50000 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9975 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9975&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23645002 46510630 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16647 C[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21| InChI=1S/C20H32O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-18,21H,4-5,7-12H2,1-3H3 SNJUIXSSEIVANC-UHFFFAOYSA-N 9976 (8R)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol::6-Substituted Androst-4-ene Analog 15a Aromatase Homo sapiens 140 1600 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9976 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9976&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23645003 46510631 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16648 CC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22| InChI=1S/C21H34O/c1-4-14-13-15-17-8-9-19(22)21(17,3)12-10-18(15)20(2)11-6-5-7-16(14)20/h7,14-15,17-19,22H,4-6,8-13H2,1-3H3 VTGGNLFKRWMFCH-UHFFFAOYSA-N 9977 (8R)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol::6-Substituted Androst-4-ene Analog 15b Aromatase Homo sapiens 340 3300 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9977 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9977&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23645004 46510632 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16649 CCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23| InChI=1S/C22H36O/c1-4-7-15-14-16-18-9-10-20(23)22(18,3)13-11-19(16)21(2)12-6-5-8-17(15)21/h8,15-16,18-20,23H,4-7,9-14H2,1-3H3 QPWLPAJYJGUKSR-UHFFFAOYSA-N 9978 (8R)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol::6-Substituted Androst-4-ene Analog 15c Aromatase Homo sapiens 5500 43000 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9978 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9978&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23645005 46510633 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16650 CCCCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25| InChI=1S/C24H40O/c1-4-5-6-9-17-16-18-20-11-12-22(25)24(20,3)15-13-21(18)23(2)14-8-7-10-19(17)23/h10,17-18,20-22,25H,4-9,11-16H2,1-3H3 PFMMKGGPOLDMEE-UHFFFAOYSA-N 9979 (8R)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol::6-Substituted Androst-4-ene Analog 15d Aromatase Homo sapiens 100000 >50000 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9979 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9979&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23645006 46510634 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16651 CCCCCCCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28| InChI=1S/C27H46O/c1-4-5-6-7-8-9-12-20-19-21-23-14-15-25(28)27(23,3)18-16-24(21)26(2)17-11-10-13-22(20)26/h13,20-21,23-25,28H,4-12,14-19H2,1-3H3 UYZADDOVTMAOQB-UHFFFAOYSA-N 9980 (8R)-2,15-dimethyl-8-octyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol::6-Substituted Androst-4-ene Analog 15e Aromatase Homo sapiens >50000 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9980 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9980&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23645007 46510635 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16652 CC12CCC3C(CCC4=CCCCC34C)C1CCC2=O |t:8| InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-16H,3-4,6-12H2,1-2H3 MNOAOFLIFDRILH-UHFFFAOYSA-N 9981 CHEMBL71715::2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::3-deoxy steroid 1 Aromatase Homo sapiens 6.8 60 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9981 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9981&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 14298827 46510636 CHEMBL71715 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 16653 CC12CCC3C(CCC4=CCCCC34C)C1CC[C@@H]2O |r,t:8| InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-17,20H,3-4,6-12H2,1-2H3 PTPHNYFLJRHMHK-UHFFFAOYSA-N 9982 (14S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol::3-deoxy steroid 2 Aromatase Homo sapiens 45 360 Curated from the literature by BindingDB 10.1021/jm960047o 10.7270/Q2X34VPV 8667367 aid1796380 Numazawa, M; Kamiyama, T; Tachibana, M; Oshibe, M 5/24/1996 6/15/2006 Tohoku College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9982 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9982&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 23645008 46510637 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7