BDBM50329612 6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)pyrimidine-2,4-diamine::CHEMBL1270633
SMILES: CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccccc1
InChI Key: InChIKey=QKLZHVMWTSBUFL-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 (DHFR) (Bacillus anthracis) | BDBM50329612 (6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut Curated by ChEMBL | Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR | J Med Chem 53: 7327-36 (2010) Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (DHFR) (Streptococcus pyogenes) | BDBM50329612 (6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut US Patent | Assay Description Heterocyclic analogs of propargyl-linked inhibitors of the third generation analogs were evaluated in enzyme inhibition assays, assessed for S. aur... | US Patent US8853228 (2014) BindingDB Entry DOI: 10.7270/Q2TD9W1T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Bacillus anthracis) | BDBM50329612 (6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 973 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut Curated by ChEMBL | Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR | J Med Chem 53: 7327-36 (2010) Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate Reductase (DHFR) (Staphylococcus aureus) | BDBM50329612 (6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut US Patent | Assay Description Heterocyclic analogs of propargyl-linked inhibitors of the third generation analogs were evaluated in enzyme inhibition assays, assessed for S. aur... | US Patent US8853228 (2014) BindingDB Entry DOI: 10.7270/Q2TD9W1T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50329612 (6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...) | 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 | US Patent | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut US Patent | Assay Description Heterocyclic analogs of propargyl-linked inhibitors of the third generation analogs were evaluated in enzyme inhibition assays, assessed for S. aur... | US Patent US8853228 (2014) BindingDB Entry DOI: 10.7270/Q2TD9W1T | |||||||||||
More data for this Ligand-Target Pair |