BDBM50035483 5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine::5-chloro-N6-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine::5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine::CHEMBL138060
SMILES: COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1
InChI Key: InChIKey=ZQYDKYDSKVGDJP-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 (Homo sapiens (Human)) | BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 10.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program Curated by ChEMBL | Assay Description Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay | Antimicrob Agents Chemother 54: 2603-10 (2010) Article DOI: 10.1128/AAC.01526-09 BindingDB Entry DOI: 10.7270/Q2VX0GQW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum DHFR | Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii) | BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii | J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver | J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Pneumocystis carinii) | BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii | J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD | |||||||||||
More data for this Ligand-Target Pair |