BDBM50004544 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid::2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(1.75H2O)::2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(10-Et-10-DA)::2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(Edatrexate)::2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid(10-EDAM)::CHEMBL9798
SMILES: CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
InChI Key: InChIKey=FSIRXIHZBIXHKT-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 (Mus musculus (Mouse)) | BDBM50004544 (2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.00280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for inhibition of dihydrofolate reductase enzyme | J Med Chem 25: 1227-30 (1983) BindingDB Entry DOI: 10.7270/Q2WW7J72 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mus musculus (Mouse)) | BDBM50004544 (2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute Curated by ChEMBL | Assay Description Compound was evaluated in vitro for the inhibition of dihydrofolate reductase (DHFR) in L1210 cells | J Med Chem 35: 3002-6 (1992) BindingDB Entry DOI: 10.7270/Q2MP527Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Gallus gallus (Chicken)) | BDBM50004544 (2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents 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 Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver | J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50004544 (2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 | J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |