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 50081091 CCC(CC)n1c(CC)cc2c1ccc1nc(N)nc(N)c21 InChI=1S/C17H23N5/c1-4-10(5-2)22-11(6-3)9-12-14(22)8-7-13-15(12)16(18)21-17(19)20-13/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21) ZFVBZXLFBOQGBY-UHFFFAOYSA-N 50049897 8-Ethyl-7-(1-ethyl-propyl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-137309::CHEMBL352960 Dihydrofolate reductase Homo sapiens 0.2 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049897 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049897&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467902 103980122 CHEMBL352960 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081092 CCCCc1cc2c(ccc3nc(N)nc(N)c23)n1C(C)(C)C InChI=1S/C18H25N5/c1-5-6-7-11-10-12-14(23(11)18(2,3)4)9-8-13-15(12)16(19)22-17(20)21-13/h8-10H,5-7H2,1-4H3,(H4,19,20,21,22) DRZMRPPLYPKPTL-UHFFFAOYSA-N 50049896 8-Butyl-7-tert-butyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL171629 Dihydrofolate reductase Homo sapiens 30 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049896 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049896&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467903 103980121 CHEMBL171629 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081093 Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) VJXSSYDSOJBUAV-UHFFFAOYSA-N 18224 6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine::[2-amino-6-(2,5-dimethoxybenzyl)-5-methyl-pyrido[2,3-d]pyrimidin-4-yl]amine;2-hydroxyethanesulfonic acid::PTX::CHEMBL7492::Piritrexim Dihydrofolate reductase Candida albicans 1.9 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18224 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18224&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search MXA 1DLR,1U71 54369 46518330 CHEMBL7492 DB03695 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081094 CC(C)c1cc2c(ccc3nc(N)nc(N)c23)[nH]1 InChI=1S/C13H15N5/c1-6(2)10-5-7-8(16-10)3-4-9-11(7)12(14)18-13(15)17-9/h3-6,16H,1-2H3,(H4,14,15,17,18) QBTNJNGOMGJBPT-UHFFFAOYSA-N 50049898 TCMDC-137847::8-Isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL353161 Dihydrofolate reductase Candida albicans 0.16 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049898 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049898&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467892 103980123 CHEMBL353161 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081096 COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24) NOYPYLRCIDNJJB-UHFFFAOYSA-N 18268 5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine::TMQ::CHEMBL119::Trimetrexate::US11111252, Compound TMQ::US11530198, Example Trimetrexate Dihydrofolate reductase Homo sapiens 1.4 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18268 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18268&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 5583 46518373 CHEMBL119 DB01157 C11154 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081097 CCc1cc2c(ccc3nc(N)nc(N)c23)n1CC InChI=1S/C14H17N5/c1-3-8-7-9-11(19(8)4-2)6-5-10-12(9)13(15)18-14(16)17-10/h5-7H,3-4H2,1-2H3,(H4,15,16,17,18) HBRNPAQKCVTVRI-UHFFFAOYSA-N 50049902 TCMDC-137851::7,8-Diethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL170144 Dihydrofolate reductase Candida albicans 0.33 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049902 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049902&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467894 103980127 CHEMBL170144 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081098 Nc1nc(N)c2c3cc[nH]c3ccc2n1 InChI=1S/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4,13H,(H4,11,12,14,15) AMQWKZUAOLLUPP-UHFFFAOYSA-N 50049904 7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-124301::CHEMBL353764 Dihydrofolate reductase Candida albicans 23 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049904 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049904&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 5384532 103980129 CHEMBL353764 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081100 CCC(CC)n1c(C)cc2c1ccc1nc(N)nc(N)c21 InChI=1S/C16H21N5/c1-4-10(5-2)21-9(3)8-11-13(21)7-6-12-14(11)15(17)20-16(18)19-12/h6-8,10H,4-5H2,1-3H3,(H4,17,18,19,20) YBHNZQJIFKDDHM-UHFFFAOYSA-N 50049905 TCMDC-137283::7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL170758 Dihydrofolate reductase Homo sapiens 0.3 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049905 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049905&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 177894 103980130 CHEMBL170758 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081103 CC(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21 InChI=1S/C14H17N5/c1-7(2)19-8(3)6-9-11(19)5-4-10-12(9)13(15)18-14(16)17-10/h4-7H,1-3H3,(H4,15,16,17,18) WTYUZEFAFVALJC-UHFFFAOYSA-N 50049899 TCMDC-137864::7-Isopropyl-8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL173617 Dihydrofolate reductase Homo sapiens 6.4 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049899 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049899&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467895 103980124 CHEMBL173617 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081104 COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24) NOYPYLRCIDNJJB-UHFFFAOYSA-N 18268 5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine::TMQ::CHEMBL119::Trimetrexate::US11111252, Compound TMQ::US11530198, Example Trimetrexate Dihydrofolate reductase Candida albicans 1.9 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18268 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18268&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 5583 46518373 CHEMBL119 DB01157 C11154 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081105 CCc1cc2c(ccc3nc(N)nc(N)c23)n1C(C)(C)C InChI=1S/C16H21N5/c1-5-9-8-10-12(21(9)16(2,3)4)7-6-11-13(10)14(17)20-15(18)19-11/h6-8H,5H2,1-4H3,(H4,17,18,19,20) UOAQMUMUMLWAOF-UHFFFAOYSA-N 50049906 7-tert-Butyl-8-ethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-137306::CHEMBL369258 Dihydrofolate reductase Homo sapiens 0.1 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049906 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049906&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467898 103980131 CHEMBL369258 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081106 CC(C)n1c(cc2c1ccc1nc(N)nc(N)c21)C(C)(C)C InChI=1S/C17H23N5/c1-9(2)22-12-7-6-11-14(15(18)21-16(19)20-11)10(12)8-13(22)17(3,4)5/h6-9H,1-5H3,(H4,18,19,20,21) MNNFNNXYNRMMNE-UHFFFAOYSA-N 50049909 8-tert-Butyl-7-isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-137311::CHEMBL170837 Dihydrofolate reductase Homo sapiens 0.2 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049909 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049909&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467901 103980134 CHEMBL170837 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081107 Cc1cc2c(ccc3nc(N)nc(N)c23)n1C InChI=1S/C12H13N5/c1-6-5-7-9(17(6)2)4-3-8-10(7)11(13)16-12(14)15-8/h3-5H,1-2H3,(H4,13,14,15,16) OMVPHMJBQKVOIA-UHFFFAOYSA-N 50049908 7,8-Dimethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-137957::CHEMBL353929 Dihydrofolate reductase Candida albicans 2 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049908 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049908&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467890 103980133 CHEMBL353929 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081108 Cn1ccc2c1ccc1nc(N)nc(N)c21 InChI=1S/C11H11N5/c1-16-5-4-6-8(16)3-2-7-9(6)10(12)15-11(13)14-7/h2-5H,1H3,(H4,12,13,14,15) WSISEVQVCUARDZ-UHFFFAOYSA-N 50049900 7-Methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-139863::CHEMBL174414 Dihydrofolate reductase Homo sapiens 230 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049900 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049900&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467889 103980125 CHEMBL174414 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081109 CCc1cc2c(ccc3nc(N)nc(N)c23)n1CC InChI=1S/C14H17N5/c1-3-8-7-9-11(19(8)4-2)6-5-10-12(9)13(15)18-14(16)17-10/h5-7H,3-4H2,1-2H3,(H4,15,16,17,18) HBRNPAQKCVTVRI-UHFFFAOYSA-N 50049902 TCMDC-137851::7,8-Diethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL170144 Dihydrofolate reductase Homo sapiens 10 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049902 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049902&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467894 103980127 CHEMBL170144 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081111 CC(C)(C)c1cc2c(ccc3nc(N)nc(N)c23)[nH]1 InChI=1S/C14H17N5/c1-14(2,3)10-6-7-8(17-10)4-5-9-11(7)12(15)19-13(16)18-9/h4-6,17H,1-3H3,(H4,15,16,18,19) DGLVMTWZETZWPO-UHFFFAOYSA-N 50049911 8-tert-Butyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL171305 Dihydrofolate reductase Candida albicans 0.12 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049911 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049911&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467893 103980136 CHEMBL171305 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081112 CC(C)c1cc2c(ccc3nc(N)nc(N)c23)[nH]1 InChI=1S/C13H15N5/c1-6(2)10-5-7-8(16-10)3-4-9-11(7)12(14)18-13(15)17-9/h3-6,16H,1-2H3,(H4,14,15,17,18) QBTNJNGOMGJBPT-UHFFFAOYSA-N 50049898 TCMDC-137847::8-Isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL353161 Dihydrofolate reductase Homo sapiens 10 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049898 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049898&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467892 103980123 CHEMBL353161 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081113 CCC(C)n1c(CC)cc2c1ccc1nc(N)nc(N)c21 InChI=1S/C16H21N5/c1-4-9(3)21-10(5-2)8-11-13(21)7-6-12-14(11)15(17)20-16(18)19-12/h6-9H,4-5H2,1-3H3,(H4,17,18,19,20) YXDFKDLEMSYJPR-UHFFFAOYSA-N 50049901 TCMDC-137308::7-sec-Butyl-8-ethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL170760 Dihydrofolate reductase Homo sapiens 0.1 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049901 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049901&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467900 103980126 CHEMBL170760 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081114 CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19) GCPJCLJGTVTGRF-UHFFFAOYSA-N 18043 CHEMBL318721::5-(pentan-3-yl)-5,10,12-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,7,9,11-hexaene-11,13-diamine::1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE::GW345 Dihydrofolate reductase Candida albicans 0.22 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18043 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18043&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search GW3 1AOE 1881 46518160 CHEMBL318721 DB07862 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081115 CCn1c(cc2c1ccc1nc(N)nc(N)c21)C(C)C InChI=1S/C15H19N5/c1-4-20-11-6-5-10-13(14(16)19-15(17)18-10)9(11)7-12(20)8(2)3/h5-8H,4H2,1-3H3,(H4,16,17,18,19) NNNLFGJHIHGHAH-UHFFFAOYSA-N 50049913 TCMDC-137856::7-Ethyl-8-isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL170654 Dihydrofolate reductase Candida albicans 0.33 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049913 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049913&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467896 103980138 CHEMBL170654 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081116 CCC(C)(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21 InChI=1S/C16H21N5/c1-5-16(3,4)21-9(2)8-10-12(21)7-6-11-13(10)14(17)20-15(18)19-11/h6-8H,5H2,1-4H3,(H4,17,18,19,20) HVCRYOZBFZLNFW-UHFFFAOYSA-N 50049912 7-(1,1-Dimethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-137307::CHEMBL424170 Dihydrofolate reductase Homo sapiens 0.4 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049912 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049912&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467899 103980137 CHEMBL424170 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081118 COc1cc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc(OC)c1OC InChI=1S/C20H21N5O3/c1-26-15-8-11(9-16(27-2)18(15)28-3)10-25-7-6-12-14(25)5-4-13-17(12)19(21)24-20(22)23-13/h4-9H,10H2,1-3H3,(H4,21,22,23,24) PEHGSOABNCOXTN-UHFFFAOYSA-N 50049914 7-(3,4,5-Trimethoxy-benzyl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-137341::CHEMBL353621 Dihydrofolate reductase Homo sapiens 6 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049914 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049914&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 456183 103980139 CHEMBL353621 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081119 CCC(C)(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21 InChI=1S/C16H21N5/c1-5-16(3,4)21-9(2)8-10-12(21)7-6-11-13(10)14(17)20-15(18)19-11/h6-8H,5H2,1-4H3,(H4,17,18,19,20) HVCRYOZBFZLNFW-UHFFFAOYSA-N 50049912 7-(1,1-Dimethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-137307::CHEMBL424170 Dihydrofolate reductase Candida albicans 0.0071 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049912 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049912&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467899 103980137 CHEMBL424170 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081120 CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19) GCPJCLJGTVTGRF-UHFFFAOYSA-N 18043 CHEMBL318721::5-(pentan-3-yl)-5,10,12-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,7,9,11-hexaene-11,13-diamine::1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE::GW345 Dihydrofolate reductase Homo sapiens 4.5 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18043 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18043&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search GW3 1AOE 1881 46518160 CHEMBL318721 DB07862 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081121 Cn1ccc2c1ccc1nc(N)nc(N)c21 InChI=1S/C11H11N5/c1-16-5-4-6-8(16)3-2-7-9(6)10(12)15-11(13)14-7/h2-5H,1H3,(H4,12,13,14,15) WSISEVQVCUARDZ-UHFFFAOYSA-N 50049900 7-Methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-139863::CHEMBL174414 Dihydrofolate reductase Candida albicans 25 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049900 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049900&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467889 103980125 CHEMBL174414 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081122 CCc1cc2c(ccc3nc(N)nc(N)c23)n1C InChI=1S/C13H15N5/c1-3-7-6-8-10(18(7)2)5-4-9-11(8)12(14)17-13(15)16-9/h4-6H,3H2,1-2H3,(H4,14,15,16,17) HBTTVXKGRCZMCN-UHFFFAOYSA-N 50049915 8-Ethyl-7-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL170900 Dihydrofolate reductase Candida albicans 1.3 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049915 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049915&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467891 103980140 CHEMBL170900 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081123 CCCCc1cc2c(ccc3nc(N)nc(N)c23)n1C(C)(C)C InChI=1S/C18H25N5/c1-5-6-7-11-10-12-14(23(11)18(2,3)4)9-8-13-15(12)16(19)22-17(20)21-13/h8-10H,5-7H2,1-4H3,(H4,19,20,21,22) DRZMRPPLYPKPTL-UHFFFAOYSA-N 50049896 8-Butyl-7-tert-butyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL171629 Dihydrofolate reductase Candida albicans 0.38 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049896 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049896&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467903 103980121 CHEMBL171629 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081124 CCCc1cc2c(ccc3nc(N)nc(N)c23)n1CC InChI=1S/C15H19N5/c1-3-5-9-8-10-12(20(9)4-2)7-6-11-13(10)14(16)19-15(17)18-11/h6-8H,3-5H2,1-2H3,(H4,16,17,18,19) KILCZWIPJDHLKS-UHFFFAOYSA-N 50049910 7-Ethyl-8-propyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-137946::CHEMBL353763 Dihydrofolate reductase Candida albicans 0.65 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049910 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049910&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467897 103980135 CHEMBL353763 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081125 Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) VJXSSYDSOJBUAV-UHFFFAOYSA-N 18224 6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine::[2-amino-6-(2,5-dimethoxybenzyl)-5-methyl-pyrido[2,3-d]pyrimidin-4-yl]amine;2-hydroxyethanesulfonic acid::PTX::CHEMBL7492::Piritrexim Dihydrofolate reductase Homo sapiens 0.025 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18224 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18224&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search MXA 1DLR,1U71 54369 46518330 CHEMBL7492 DB03695 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081127 CCC(CC)n1c(cc2c1ccc1nc(N)nc(N)c21)C(C)C InChI=1S/C18H25N5/c1-5-11(6-2)23-14-8-7-13-16(17(19)22-18(20)21-13)12(14)9-15(23)10(3)4/h7-11H,5-6H2,1-4H3,(H4,19,20,21,22) CMDIFEGBCSWKEJ-UHFFFAOYSA-N 50049907 7-(1-Ethyl-propyl)-8-isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL171765 Dihydrofolate reductase Homo sapiens 0.1 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049907 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049907&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467905 103980132 CHEMBL171765 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081128 COc1cc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc(OC)c1OC InChI=1S/C20H21N5O3/c1-26-15-8-11(9-16(27-2)18(15)28-3)10-25-7-6-12-14(25)5-4-13-17(12)19(21)24-20(22)23-13/h4-9H,10H2,1-3H3,(H4,21,22,23,24) PEHGSOABNCOXTN-UHFFFAOYSA-N 50049914 7-(3,4,5-Trimethoxy-benzyl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-137341::CHEMBL353621 Dihydrofolate reductase Candida albicans 0.23 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049914 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049914&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 456183 103980139 CHEMBL353621 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081129 CCC(CC)n1c(C)cc2c1ccc1nc(N)nc(N)c21 InChI=1S/C16H21N5/c1-4-10(5-2)21-9(3)8-11-13(21)7-6-12-14(11)15(17)20-16(18)19-12/h6-8,10H,4-5H2,1-3H3,(H4,17,18,19,20) YBHNZQJIFKDDHM-UHFFFAOYSA-N 50049905 TCMDC-137283::7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL170758 Dihydrofolate reductase Candida albicans 0.03 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049905 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049905&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 177894 103980130 CHEMBL170758 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081130 CC(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21 InChI=1S/C14H17N5/c1-7(2)19-8(3)6-9-11(19)5-4-10-12(9)13(15)18-14(16)17-10/h4-7H,1-3H3,(H4,15,16,17,18) WTYUZEFAFVALJC-UHFFFAOYSA-N 50049899 TCMDC-137864::7-Isopropyl-8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL173617 Dihydrofolate reductase Candida albicans 0.22 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049899 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1874&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049899&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467895 103980124 CHEMBL173617 1 MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK Dihydrofolate reductase DYR_CANAX P22906 O59840 50081131 Nc1nc(N)c2c3cc[nH]c3ccc2n1 InChI=1S/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4,13H,(H4,11,12,14,15) AMQWKZUAOLLUPP-UHFFFAOYSA-N 50049904 7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-124301::CHEMBL353764 Dihydrofolate reductase Homo sapiens 1000 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049904 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049904&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 5384532 103980129 CHEMBL353764 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081132 Cc1cc2c(ccc3nc(N)nc(N)c23)n1C InChI=1S/C12H13N5/c1-6-5-7-9(17(6)2)4-3-8-10(7)11(13)16-12(14)15-8/h3-5H,1-2H3,(H4,13,14,15,16) OMVPHMJBQKVOIA-UHFFFAOYSA-N 50049908 7,8-Dimethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-137957::CHEMBL353929 Dihydrofolate reductase Homo sapiens 87 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049908 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049908&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467890 103980133 CHEMBL353929 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081134 CCCc1cc2c(ccc3nc(N)nc(N)c23)n1C(CC)CC InChI=1S/C18H25N5/c1-4-7-12-10-13-15(23(12)11(5-2)6-3)9-8-14-16(13)17(19)22-18(20)21-14/h8-11H,4-7H2,1-3H3,(H4,19,20,21,22) UQVFPVMLTBNEKT-UHFFFAOYSA-N 50049903 TCMDC-137312::7-(1-Ethyl-propyl)-8-propyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL171494 Dihydrofolate reductase Homo sapiens 0.4 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049903 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049903&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467904 103980128 CHEMBL171494 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081135 CCCc1cc2c(ccc3nc(N)nc(N)c23)n1CC InChI=1S/C15H19N5/c1-3-5-9-8-10-12(20(9)4-2)7-6-11-13(10)14(16)19-15(17)18-11/h6-8H,3-5H2,1-2H3,(H4,16,17,18,19) KILCZWIPJDHLKS-UHFFFAOYSA-N 50049910 7-Ethyl-8-propyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::TCMDC-137946::CHEMBL353763 Dihydrofolate reductase Homo sapiens 24 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049910 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049910&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467897 103980135 CHEMBL353763 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8 50081136 CCc1cc2c(ccc3nc(N)nc(N)c23)n1C InChI=1S/C13H15N5/c1-3-7-6-8-10(18(7)2)5-4-9-11(8)12(14)17-13(15)16-9/h4-6H,3H2,1-2H3,(H4,14,15,16,17) HBTTVXKGRCZMCN-UHFFFAOYSA-N 50049915 8-Ethyl-7-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL170900 Dihydrofolate reductase Homo sapiens 29 ChEMBL 10.1021/jm9505122 10.7270/Q2XD10RC 8632413 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN 6/28/1996 11/10/2009 Wellcome Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049915 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1875&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049915&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 467891 103980140 CHEMBL170900 1 MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND 8WGN,7XI7,6DAV,5SDB,5SDA,5SD9,5SD8,5SD7,5SD6,4M6L,4M6K,4M6J,3GYF,3FS6,2W3M,2W3B,2W3A,1MVT,1MVS,6VCJ,7ESE,6DE4,6A7E,6A7C,5HVE,5HVB,5HUI,5HT5,5HT4,5HSU,5HSR,5HQZ,5HQY,5HPB,4QJC,4QHV,4KFJ,4KEB,4KD7,4KBN,4KAK,4G95,4DDR,3S7A,3NZD,3NXY,3NXX,3NXV,3NXT,3NXR,3NU0,3NTZ,3GHW,2DHF,2C2T,2C2S,1YHO,1U72,1S3W,1S3V,1S3U,1PDB,1PD9,1PD8,1OHK,1OHJ,1KMV,1KMS,1HFR,1DRF,1DHF Dihydrofolate reductase DYR_HUMAN P00374 B4DDD2 Q14130 Q6IRW8