BDBM11706 (2S)-Cyanopyrrolidine analogue 18j::3-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-N-[(4-nitrophenyl)methyl]propanamide::3-[2-(2-Cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(4-nitrobenzyl)propionamide
SMILES: [O-][N+](=O)c1ccc(CNC(=O)CCNCC(=O)N2CCC[C@H]2C#N)cc1
InChI Key: InChIKey=MRMUOZCXACZMBV-HNNXBMFYSA-N
Data: 3 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)) | BDBM11706 ((2S)-Cyanopyrrolidine analogue 18j | 3-({2-[(2S)-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 317 | n/a | n/a | n/a | n/a | 8.0 | 37 |
National Health Research Institutes | Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro... | J Med Chem 49: 373-80 (2006) Article DOI: 10.1021/jm0507781 BindingDB Entry DOI: 10.7270/Q28W3BJH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human)) | BDBM11706 ((2S)-Cyanopyrrolidine analogue 18j | 3-({2-[(2S)-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes | Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro... | J Med Chem 49: 373-80 (2006) Article DOI: 10.1021/jm0507781 BindingDB Entry DOI: 10.7270/Q28W3BJH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM11706 ((2S)-Cyanopyrrolidine analogue 18j | 3-({2-[(2S)-2...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 2.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes | Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro... | J Med Chem 49: 373-80 (2006) Article DOI: 10.1021/jm0507781 BindingDB Entry DOI: 10.7270/Q28W3BJH | |||||||||||
More data for this Ligand-Target Pair |