BDBM50025009 2-{4-[2-(2,4-Diamino-pteridin-6-yl)-1-methyl-ethyl]-benzoylamino}-pentanedioic acid::2-{4-[2-(2,4-Diamino-pteridin-6-yl)-1-methyl-ethyl]-benzoylamino}-pentanedioic acid(1.75H2O)::2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL10515
SMILES: CC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
InChI Key: InChIKey=MQISJAZESFPIPJ-UHFFFAOYSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate reductase (Mus musculus (Mouse)) | BDBM50025009 (2-{4-[2-(2,4-Diamino-pteridin-6-yl)-1-methyl-ethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.00240 | 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)) | BDBM50025009 (2-{4-[2-(2,4-Diamino-pteridin-6-yl)-1-methyl-ethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Inhibition of Dihydrofolate reductase (DHFR) enzyme derived from L1210 cells expressed as Ki (pM) | J Med Chem 36: 2228-31 (1993) BindingDB Entry DOI: 10.7270/Q23N22FH | |||||||||||
More data for this Ligand-Target Pair |