BDBM50405043 1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride (B2-01)::CHEMBL7191
SMILES: CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)cc1
InChI Key: InChIKey=HUTXUOTUXFTILM-UHFFFAOYSA-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 (Gallus gallus (Chicken)) | BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 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 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)) | BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 117 | 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 human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) | J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.46E+3 | 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 | |||||||||||||
Dihydrofolate reductase (Mycobacterium avium) | BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Chemical Technology | Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur... | J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (DHFR) (Toxoplasma gondii) | BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Chemical Technology | Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur... | J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii) | BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Chemical Technology | Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur... | J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Chemical Technology | Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur... | J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S | |||||||||||
More data for this Ligand-Target Pair |