BDBM50090052 6-Ethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL89959
SMILES: CCC1N=C(N)N=C(N)N1c1ccc(C)cc1
InChI Key: InChIKey=JVSPLIKLKSADIK-UHFFFAOYSA-N
Data: 2 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) | BDBM50090052 (6-Ethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.90 | 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 Evaluated for inhibition constant (Ki wt) against Wild-type dihydrofolate reductase of Plasmodium falciparum | J Med Chem 43: 2738-44 (2000) BindingDB Entry DOI: 10.7270/Q2P55MRR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (A16V+S108T) (Plasmodium falciparum) | BDBM50090052 (6-Ethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4-...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 128 | 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 Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs of Plasmodium falciparum | J Med Chem 43: 2738-44 (2000) BindingDB Entry DOI: 10.7270/Q2P55MRR | |||||||||||
More data for this Ligand-Target Pair |