BDBM15561 (3R)-3-amino-4-(5-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl]butan-1-one::CHEMBL427261::DPP-4 ligand 3
SMILES: N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(Cl)ccc1F
InChI Key: InChIKey=MUMFFVRFHUQYEC-LLVKDONJSA-N
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)) | BDBM15561 ((3R)-3-amino-4-(5-chloro-2-fluorophenyl)-1-[3-(tri...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 21 | 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: 2404-7 (2007) Article DOI: 10.1016/j.bmcl.2007.02.040 BindingDB Entry DOI: 10.7270/Q2M906WF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 9 (Homo sapiens (Human)) | BDBM15561 ((3R)-3-amino-4-(5-chloro-2-fluorophenyl)-1-[3-(tri...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of DPP9 activity | Bioorg Med Chem Lett 17: 3373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.098 BindingDB Entry DOI: 10.7270/Q2W37W04 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM15561 ((3R)-3-amino-4-(5-chloro-2-fluorophenyl)-1-[3-(tri...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL 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 Curated by ChEMBL | Assay Description Inhibition of DPP8 activity | Bioorg Med Chem Lett 17: 3373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.098 BindingDB Entry DOI: 10.7270/Q2W37W04 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM15561 ((3R)-3-amino-4-(5-chloro-2-fluorophenyl)-1-[3-(tri...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of DPP4 activity | Bioorg Med Chem Lett 17: 3373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.098 BindingDB Entry DOI: 10.7270/Q2W37W04 | |||||||||||
More data for this Ligand-Target Pair |