BDBM50291797 6,6-Dimethyl-1-{3-[2-(3-trifluoromethyl-phenoxy)-ethoxy]-phenyl}-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL20628
SMILES: CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2cccc(c2)C(F)(F)F)c1
InChI Key: InChIKey=ZJKYATYSNJZLSA-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 (Lactobacillus casei) | BDBM50291797 (6,6-Dimethyl-1-{3-[2-(3-trifluoromethyl-phenoxy)-e...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) | J Med Chem 24: 1422-9 (1981) BindingDB Entry DOI: 10.7270/Q2VM4FF9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii) | BDBM50291797 (6,6-Dimethyl-1-{3-[2-(3-trifluoromethyl-phenoxy)-e...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 22.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii. | J Med Chem 38: 967-72 (1995) BindingDB Entry DOI: 10.7270/Q2Z039BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (TS) (Leishmania major) | BDBM50291797 (6,6-Dimethyl-1-{3-[2-(3-trifluoromethyl-phenoxy)-e...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of dihydrofolate reductase (DHFR) from Leishmania major | J Med Chem 30: 1218-24 (1987) Checked by Author BindingDB Entry DOI: 10.7270/Q21V5FJ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase type 1 (Escherichia coli) | BDBM50291797 (6,6-Dimethyl-1-{3-[2-(3-trifluoromethyl-phenoxy)-e...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Escherichia coli dihydrofolate reductase. | J Med Chem 28: 1910-6 (1985) BindingDB Entry DOI: 10.7270/Q2G44SH3 | |||||||||||
More data for this Ligand-Target Pair |