BDBM11518 (2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-{4-[3-(1,3,4-oxadiazol-2-yl)phenyl]phenyl}-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate::3-(S)-fluoropyrrolidide 38
SMILES: C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnco1
InChI Key: InChIKey=IQLBIWJJBRDGRO-GKCIPKSASA-O
Data: 4 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)) | BDBM11518 ((2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-{4-[3-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
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 15: 2533-6 (2005) Article DOI: 10.1016/j.bmcl.2005.03.055 BindingDB Entry DOI: 10.7270/Q2K935SH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 9 (Homo sapiens (Human)) | BDBM11518 ((2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-{4-[3-(...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
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 15: 2533-6 (2005) Article DOI: 10.1016/j.bmcl.2005.03.055 BindingDB Entry DOI: 10.7270/Q2K935SH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM11518 ((2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-{4-[3-(...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
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 15: 2533-6 (2005) Article DOI: 10.1016/j.bmcl.2005.03.055 BindingDB Entry DOI: 10.7270/Q2K935SH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human)) | BDBM11518 ((2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-{4-[3-(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
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 15: 2533-6 (2005) Article DOI: 10.1016/j.bmcl.2005.03.055 BindingDB Entry DOI: 10.7270/Q2K935SH | |||||||||||
More data for this Ligand-Target Pair |