BDBM50016340 2-[4-(4-{4-[4-(4-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyrylamino)-butyrylamino]-butyrylamino}-butyrylamino)-butyrylamino]-pentanedioic acid::CHEMBL435778
SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NC(CCC(O)=O)C(O)=O
InChI Key: InChIKey=TYJPEWVRMTYMGN-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50016340 (2-[4-(4-{4-[4-(4-{4-[(2,4-Diamino-pteridin-6-ylmet...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for its ability to inhibit thymidylate synthetase isolated from MTX-resistant Lactobacillus casei | J Med Chem 29: 1872-6 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mus musculus (Mouse)) | BDBM50016340 (2-[4-(4-{4-[4-(4-{4-[(2,4-Diamino-pteridin-6-ylmet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for its ability to inhibit dihydrofolate reductase purified from murine L1210 cells | J Med Chem 29: 1872-6 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K4Q | |||||||||||
More data for this Ligand-Target Pair |