BDBM50145798 4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[b,f]azepin-2-yloxy]-butyric acid::CHEMBL430821
SMILES: Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCCCC(O)=O)ccc34)cnc2n1
InChI Key: InChIKey=ORMJWSHZQMNLEH-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50145798 (4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range : 0.92-1.3 | J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50145798 (4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range : 8.9-11 | J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50145798 (4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range : 1.7-2.3 | J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50145798 (4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range : 1100-1800 | J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |