BDBM50036486 5-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-quinazoline-2,4-diamine::CHEMBL441298
SMILES: COc1cc(CCc2cccc3nc(N)nc(N)c23)cc(OC)c1OC
InChI Key: InChIKey=ICUYNYUOYHOQEB-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 |
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Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50036486 (5-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-quinazoline-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase | J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50036486 (5-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-quinazoline-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory compound against Wild-type human DHFR. | J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii) | BDBM50036486 (5-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-quinazoline-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity against Toxoplasma gondii Dihydrofolate reductase | J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Pneumocystis carinii) | BDBM50036486 (5-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-quinazoline-...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity against Pneumocystis carinii Dihydrofolate reductase | J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50036486 (5-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-quinazoline-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity against rat liver Dihydrofolate reductase | J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK | |||||||||||
More data for this Ligand-Target Pair |