BDBM50090069 1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL92583
SMILES: CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=FPULLBVUFHTKQQ-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-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum) | BDBM50090069 (1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | 1.10 | 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-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090069 (1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Inhibition constant against Plasmodium falciparum dihydrofolate reductase | J Med Chem 47: 4258-67 (2004) Checked by Author Article DOI: 10.1021/jm040769c BindingDB Entry DOI: 10.7270/Q2HH6JKZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50090069 (1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 110 | 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 (A16V+S108T) (Plasmodium falciparum) | BDBM50090069 (1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | 131 | 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 |