BDBM15572 (2S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-2-[(3R)-1-{[4-(trifluoromethoxy)benzene]sulfonyl}pyrrolidin-3-yl]ethan-1-one::DPP-4 ligand 14
SMILES: [H][C@]1(CCN(C1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCC(F)(F)C1
InChI Key: InChIKey=NDEQMGDLWVTIIR-RISCZKNCSA-N
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)) | BDBM15572![]() ((2S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-2-[(3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 995 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Merck Research Laboratories | Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m... | Bioorg Med Chem Lett 17: 2404-7 (2007) Article DOI: 10.1016/j.bmcl.2007.02.040 BindingDB Entry DOI: 10.7270/Q2M906WF | |||||||||||
More data for this Ligand-Target Pair |