BDBM50291793 6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL6948
SMILES: CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(F)(F)F
InChI Key: InChIKey=MMFKOLPHNNHIDJ-UHFFFAOYSA-N
Data: 8 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) | BDBM50291793 (6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.30 | 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) (Escherichia coli) | BDBM50291793 (6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 77.6 | 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 from Pneumocystis carinii. | J Med Chem 38: 967-72 (1995) BindingDB Entry DOI: 10.7270/Q2Z039BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50291793 (6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 95.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uniroyal Chemical Co., Inc. Curated by ChEMBL | Assay Description Inhibition constant against binding of Escherichia coli dihydrofolate reductase | J Med Chem 31: 1396-406 (1988) BindingDB Entry DOI: 10.7270/Q2P55QQJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Gallus gallus (Chicken)) | BDBM50291793 (6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 98 | 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 isolated chicken liver dihydrofolate reductase (DHFR) | J Med Chem 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50291793 (6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL | Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis | Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase type 1 (Escherichia coli) | BDBM50291793 (6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.04E+3 | 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 | |||||||||||||
Thymidylate synthase (TS) (Leishmania major) | BDBM50291793 (6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.19E+3 | 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 (Lactobacillus casei) | BDBM50291793 (6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.70E+4 | 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 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M | |||||||||||
More data for this Ligand-Target Pair |