BDBM50018470 5-(3-Allyl-4,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL282022
SMILES: COc1cc(Cc2cnc(N)nc2N)cc(CC=C)c1OC
InChI Key: InChIKey=VPEAGVDKWIKNBJ-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 (Escherichia coli) | BDBM50018470 (5-(3-Allyl-4,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Antibacterial activity against Escherichia coli | J Med Chem 32: 1949-58 (1989) BindingDB Entry DOI: 10.7270/Q2DF6Q6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Staphylococcus aureus) | BDBM50018470 (5-(3-Allyl-4,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Antibacterial activity against Staphylococcus aureus | J Med Chem 32: 1949-58 (1989) BindingDB Entry DOI: 10.7270/Q2DF6Q6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50018470 (5-(3-Allyl-4,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) | 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 | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co. Curated by ChEMBL | Assay Description Inhibition of Neisseria gonorrhoeae Dihydrofolate reductase(DHFR) | J Med Chem 31: 122-9 (1988) BindingDB Entry DOI: 10.7270/Q24M95T9 | |||||||||||
More data for this Ligand-Target Pair |