BDBM11141 (1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-[4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate::(2S,3S)-4-(dimethylamino)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1,4-dioxobutan-2-aminium trifluoroacetate::Biarylphenylalanine (S)-Fluoropyrrolidide Amide 20
SMILES: CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1
InChI Key: InChIKey=XRPGUKSZMUVVAT-IHPCNDPISA-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)) | BDBM11141 ((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...) | 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 | 8 | 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... | J Med Chem 49: 3614-27 (2006) Article DOI: 10.1021/jm060015t BindingDB Entry DOI: 10.7270/Q2N87807 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 9 (Homo sapiens (Human)) | BDBM11141 ((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...) | 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... | J Med Chem 49: 3614-27 (2006) Article DOI: 10.1021/jm060015t BindingDB Entry DOI: 10.7270/Q2N87807 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM11141 ((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...) | 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... | J Med Chem 49: 3614-27 (2006) Article DOI: 10.1021/jm060015t BindingDB Entry DOI: 10.7270/Q2N87807 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human)) | BDBM11141 ((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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... | J Med Chem 49: 3614-27 (2006) Article DOI: 10.1021/jm060015t BindingDB Entry DOI: 10.7270/Q2N87807 | |||||||||||
More data for this Ligand-Target Pair |