BDBM50153412 CHEMBL184527::Trifluoro-acetate3-{(S)-2-[4-((R)-1-carboxy-2-methyl-propoxy)-benzylcarbamoyl]-pyrrolidin-1-yl}-1-(5-chloro-2-fluoro-benzyl)-3-oxo-propyl-ammonium;
SMILES: CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2cc(Cl)ccc2F)cc1)C(O)=O
InChI Key: InChIKey=LWHJVPXOAZTUPE-RYORKLGYSA-O
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM50153412 (CHEMBL184527 | Trifluoro-acetate3-{(S)-2-[4-((R)-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant Dipeptidylpeptidase IV | Bioorg Med Chem Lett 14: 5151-5 (2004) Article DOI: 10.1016/j.bmcl.2004.07.056 BindingDB Entry DOI: 10.7270/Q2QR4WM2 | |||||||||||
More data for this Ligand-Target Pair |