BDBM50111552 CHEMBL297558::N-(4-Carboxy-4-{4-[2-(6,8-diamino-naphthalen-2-yl)-ethyl]-benzoylamino}-butyl)-phthalamic acid
SMILES: Nc1cc(N)c2cc(CCc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)ccc2c1
InChI Key: InChIKey=XGBGDLRMSOSGLU-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 (Homo sapiens (Human)) | BDBM50111552 (CHEMBL297558 | N-(4-Carboxy-4-{4-[2-(6,8-diamino-n...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem | PubMed | 0.000210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity against human recombinant Dihydrofolate reductase | J Med Chem 45: 1690-6 (2002) BindingDB Entry DOI: 10.7270/Q2V987CB | |||||||||||
More data for this Ligand-Target Pair |