BDBM50026310 6-[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimethoxy-phenoxy]-hexanoic acid::CHEMBL105006
SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCC(O)=O
InChI Key: InChIKey=WWTCDGULAKAMHM-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) | BDBM50026310 (6-[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimeth...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against Dihydrofolate reductase of Escherichia coli | J Med Chem 28: 303-11 (1985) BindingDB Entry DOI: 10.7270/Q2J966Z0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50026310 (6-[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimeth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.96E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of rat liver Dihydrofolate reductase. | J Med Chem 24: 933-41 (1982) BindingDB Entry DOI: 10.7270/Q2SF2XGF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50026310 (6-[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimeth...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli | J Med Chem 24: 933-41 (1982) BindingDB Entry DOI: 10.7270/Q2SF2XGF | |||||||||||
More data for this Ligand-Target Pair |