BDBM50044421 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-butyl]-benzoylamino}-pentanedioic acid::CHEMBL72898
SMILES: CCCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
InChI Key: InChIKey=VIBFQIZOMPFURO-UHFFFAOYSA-N
Data: 1 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)) | BDBM50044421 (2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-butyl]-b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9.20 | 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 |