BDBM50044420 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-but-3-ynyl]-benzoylamino}-pentanedioic acid::CHEMBL306438
SMILES: Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
InChI Key: InChIKey=OGSBUKJUDHAQEA-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)) | BDBM50044420 (2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-but-3-yn...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 18 | 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 |