BDBM50298800 (+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine::Biphenyl antifolate, 3::CHEMBL584391::US8853228, 141
SMILES: COc1cc(cc(c1)-c1ccc(C)cc1)C(C)C#Cc1c(C)nc(N)nc1N
InChI Key: InChIKey=QVXYJVHNRPNRJL-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) (Candida Glabrata) | BDBM50298800![]() ((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut | Assay Description Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min. | Chem Biol Drug Des 73: 62-74 (2009) Article DOI: 10.1111/j.1747-0285.2008.00745.x BindingDB Entry DOI: 10.7270/Q29K48RZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50298800![]() ((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut | Assay Description Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min. | Chem Biol Drug Des 73: 62-74 (2009) Article DOI: 10.1111/j.1747-0285.2008.00745.x BindingDB Entry DOI: 10.7270/Q29K48RZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Staphylococcus aureus) | BDBM50298800![]() ((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 410 | 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) (Streptococcus pyogenes) | BDBM50298800![]() ((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...) | UniProtKB/TrEMBL GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 350 | 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) (Candida albicans) | BDBM50298800![]() ((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut Curated by ChEMBL | Assay Description Inhibition of Candida albicans DHFR | Bioorg Med Chem Lett 23: 1279-84 (2013) Article DOI: 10.1016/j.bmcl.2013.01.008 BindingDB Entry DOI: 10.7270/Q2RV0Q2N | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Dihydrofolate Reductase (DHFR) (Candida albicans) | BDBM50298800![]() ((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut Curated by ChEMBL | Assay Description Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate | Bioorg Med Chem 17: 4866-72 (2009) Article DOI: 10.1016/j.bmc.2009.06.021 BindingDB Entry DOI: 10.7270/Q2JM29P7 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50298800![]() ((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut Curated by ChEMBL | Assay Description Inhibition of human DHFR assessed as rate of NADPH consumption using dihydrofolate as susbtrate | Bioorg Med Chem 17: 4866-72 (2009) Article DOI: 10.1016/j.bmc.2009.06.021 BindingDB Entry DOI: 10.7270/Q2JM29P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50298800![]() ((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut Curated by ChEMBL | Assay Description Inhibition of human DHFR | Bioorg Med Chem Lett 23: 1279-84 (2013) Article DOI: 10.1016/j.bmcl.2013.01.008 BindingDB Entry DOI: 10.7270/Q2RV0Q2N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50298800![]() ((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 1.40E+3 | 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 |