BDBM50028132 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid 1-dodecyl ester::CHEMBL345807
SMILES: CCCCCCCCCCCCOC(=O)C(CCC(O)=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1
InChI Key: InChIKey=TYMICJDXPBHWGU-UHFFFAOYSA-N
Data: 1 IC50
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 (DHFR) (Bos taurus (Cattle)) | BDBM50028132 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated in vitro for its ability to inhibit the Dihydrofolate reductase extracted from beef liver. | J Med Chem 27: 605-9 (1984) BindingDB Entry DOI: 10.7270/Q29G5KSG | |||||||||||
More data for this Ligand-Target Pair |