BDBM11678 (2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-5-hydroxy-1-oxopentan-2-aminium; 2,2,2-trifluoroacetate::alpha-amino acid pyrrolidide 40::oxadiazole based amide
SMILES: CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CCO)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1
InChI Key: InChIKey=SFTSSOGQVJWKJX-XEGUGMAKSA-O
Data: 6 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)) | BDBM11678 ((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...) | 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 | 70 | 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 16: 5373-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.061 BindingDB Entry DOI: 10.7270/Q2JD4V0K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human)) | BDBM11678 ((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.48E+4 | 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 16: 5373-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.061 BindingDB Entry DOI: 10.7270/Q2JD4V0K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human)) | BDBM11678 ((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant QPP expressed in baculovirus system | Bioorg Med Chem Lett 18: 2409-13 (2008) Article DOI: 10.1016/j.bmcl.2008.02.050 BindingDB Entry DOI: 10.7270/Q2HD7WJ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 9 (Homo sapiens (Human)) | BDBM11678 ((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | 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 16: 5373-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.061 BindingDB Entry DOI: 10.7270/Q2JD4V0K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM11678 ((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant DPP4 expressed in insect cell | Bioorg Med Chem Lett 18: 2409-13 (2008) Article DOI: 10.1016/j.bmcl.2008.02.050 BindingDB Entry DOI: 10.7270/Q2HD7WJ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM11678 ((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | 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 16: 5373-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.061 BindingDB Entry DOI: 10.7270/Q2JD4V0K | |||||||||||
More data for this Ligand-Target Pair |