BDBM12630 (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethenylpyrrolidine-2-carbonitrile::(2S,5R)-1-[(2S)-2-amino-2-cyclopentylethanoyl]-5-vinylpyrrolidine-2-carbonitrile::C5-substituted pyrrolidine 18
SMILES: N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C=C
InChI Key: InChIKey=SOGGVAAJATVSRA-AVGNSLFASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM12630 ((2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-eth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.80E+3 | -7.31 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories | Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea... | J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1 | |||||||||||
More data for this Ligand-Target Pair |