BDBM50138708 5-[3-Ethoxy-4-(3-phenyl-propoxy)-benzyl]-pyrimidine-2,4-diamine::CHEMBL333779
SMILES: CCOc1cc(Cc2cnc(N)nc2N)ccc1OCCCc1ccccc1
InChI Key: InChIKey=OHQPQKOHTUXQLT-UHFFFAOYSA-N
Data: 4 KI
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-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138708 (5-[3-Ethoxy-4-(3-phenyl-propoxy)-benzyl]-pyrimidin...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR) | J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138708 (5-[3-Ethoxy-4-(3-phenyl-propoxy)-benzyl]-pyrimidin...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 10.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR) | J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138708 (5-[3-Ethoxy-4-(3-phenyl-propoxy)-benzyl]-pyrimidin...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 374 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR) | J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138708 (5-[3-Ethoxy-4-(3-phenyl-propoxy)-benzyl]-pyrimidin...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 525 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR) | J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q | |||||||||||
More data for this Ligand-Target Pair |