BDBM50329609 5-(3-(biphenyl-3-yl)prop-1-ynyl)-6-ethylpyrimidine-2,4-diamine::CHEMBL1270439
SMILES: CCc1nc(N)nc(N)c1C#CCc1cccc(c1)-c1ccccc1
InChI Key: InChIKey=DGJGWMFHVPDAKM-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) | BDBM50329609 (5-(3-(biphenyl-3-yl)prop-1-ynyl)-6-ethylpyrimidine...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 370 | 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 | |||||||||||||
Dihydrofolate reductase (DHFR) (Streptococcus pyogenes) | BDBM50329609 (5-(3-(biphenyl-3-yl)prop-1-ynyl)-6-ethylpyrimidine...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 26 | 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) | BDBM50329609 (5-(3-(biphenyl-3-yl)prop-1-ynyl)-6-ethylpyrimidine...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+3 | 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 | |||||||||||||
Dihydrofolate Reductase (DHFR) (Staphylococcus aureus) | BDBM50329609 (5-(3-(biphenyl-3-yl)prop-1-ynyl)-6-ethylpyrimidine...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 28 | 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)) | BDBM50329609 (5-(3-(biphenyl-3-yl)prop-1-ynyl)-6-ethylpyrimidine...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 290 | 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 |