BDBM13518 (3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one::1,4-diazepan-2-one 2a::Diazepanone Analog 17
SMILES: C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F
InChI Key: InChIKey=VYPJHZNQKIOKBM-ZWNOBZJWSA-N
Data: 4 IC50
PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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)) | BDBM13518![]() ((3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 14 | 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: 49-52 (2007) Article DOI: 10.1016/j.bmcl.2006.09.099 BindingDB Entry DOI: 10.7270/Q2F47MC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM13518![]() ((3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoy...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.80E+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: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human)) | BDBM13518![]() ((3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Patents 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 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM13518![]() ((3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 11.5 | 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: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870 | |||||||||||
More data for this Ligand-Target Pair |