BDBM50298814 (R)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine::5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine::CHEMBL575218
SMILES: COc1cc(cc(c1)-c1ccc(C)cc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N
InChI Key: InChIKey=QVXYJVHNRPNRJL-HNNXBMFYSA-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 (DHFR) (Candida albicans) | BDBM50298814 ((R)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-y...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB 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) |