BDBM50008292 2-{4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL112061
SMILES: Cc1c(CN(CC#C)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12
InChI Key: InChIKey=NXZWILPVWKKBOG-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)) | BDBM50008292 (2-{4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute Curated by ChEMBL | Assay Description The compound was tested for its inhibitory activity against dihydrofolate reductase(DHFR) derived from L1210 cells. | J Med Chem 35: 332-7 (1992) BindingDB Entry DOI: 10.7270/Q2N58KBS | |||||||||||
More data for this Ligand-Target Pair |