BDBM11140 (1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl)phenyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate::beta-dimethylamide 4::beta-substituted phenylalanine deriv. 22::phenylalanine derived inhibitor, 3
SMILES: CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1
InChI Key: InChIKey=YPGNHGMZLLVIHB-UFYCRDLUSA-O
Data: 12 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 2 (DPP II) (Homo sapiens (Human)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | 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 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)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | 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 9 (Homo sapiens (Human)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | 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 4 (Homo sapiens (Human)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | 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 | 12 | 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 4 (Homo sapiens (Human)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | 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 | 12 | 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... | Bioorg Med Chem Lett 15: 3048-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.028 BindingDB Entry DOI: 10.7270/Q2833Q73 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 9 (Homo sapiens (Human)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.90E+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 17: 2879-85 (2007) Article DOI: 10.1016/j.bmcl.2007.02.066 BindingDB Entry DOI: 10.7270/Q2V986BG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | 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 15: 3048-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.028 BindingDB Entry DOI: 10.7270/Q2833Q73 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 9 (Homo sapiens (Human)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.90E+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 15: 3048-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.028 BindingDB Entry DOI: 10.7270/Q2833Q73 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | 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 | 12 | 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... | Bioorg Med Chem Lett 17: 2879-85 (2007) Article DOI: 10.1016/j.bmcl.2007.02.066 BindingDB Entry DOI: 10.7270/Q2V986BG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | 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 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 17: 2879-85 (2007) Article DOI: 10.1016/j.bmcl.2007.02.066 BindingDB Entry DOI: 10.7270/Q2V986BG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | 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, which was monitored by excitation at 400 nm and measurement of fluorescent ... | Bioorg Med Chem Lett 17: 2879-85 (2007) Article DOI: 10.1016/j.bmcl.2007.02.066 BindingDB Entry DOI: 10.7270/Q2V986BG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human)) | BDBM11140 ((1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl...) | 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 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: 3048-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.028 BindingDB Entry DOI: 10.7270/Q2833Q73 | |||||||||||
More data for this Ligand-Target Pair |