BindingDB PrimarySearch

BDBM11161 (1R)-3-(5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-3-oxo-1-(2,4,5-trifluorobenzyl)propylamine hydrochloride::(3R)-3-amino-1-{5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl}-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride::CHEMBL479370::Triazolopiperazine Analogue 26

SMILES: N[C@@H](CC(=O)N1CCn2cnnc2C1)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=KJXVBDNOXKGFEH-SNVBAGLBSA-N

Data: 5 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 11161
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11161 ((1R)-3-(5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7...) Show SMILES Show InChI	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	68	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 48: 141-51 (2005) Article DOI: 10.1021/jm0493156 BindingDB Entry DOI: 10.7270/Q2HH6H8H
Merck Research Laboratories					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM11161 ((1R)-3-(5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+4	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 48: 141-51 (2005) Article DOI: 10.1021/jm0493156 BindingDB Entry DOI: 10.7270/Q2HH6H8H
Merck Research Laboratories					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11161 ((1R)-3-(5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7...) Show SMILES Show InChI	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	68	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin)				J Med Chem 51: 4359-69 (2008) Article DOI: 10.1021/jm800219f BindingDB Entry DOI: 10.7270/Q28915N5
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM11161 ((1R)-3-(5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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 48: 141-51 (2005) Article DOI: 10.1021/jm0493156 BindingDB Entry DOI: 10.7270/Q2HH6H8H
Merck Research Laboratories					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM11161 ((1R)-3-(5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt 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	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 48: 141-51 (2005) Article DOI: 10.1021/jm0493156 BindingDB Entry DOI: 10.7270/Q2HH6H8H
Merck Research Laboratories					More data for this Ligand-Target Pair