BDBM50077799 2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL35427
SMILES: Nc1nc(N)c2nc(CN(CCCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
InChI Key: InChIKey=ANKACAMUKGRCBV-UHFFFAOYSA-N
Data: 2 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 (Homo sapiens (Human)) | BDBM50077799 (2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.183 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University Curated by ChEMBL | Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase | Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50077799 (2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University Curated by ChEMBL | Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase | Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V | |||||||||||
More data for this Ligand-Target Pair |