BindingDB PrimarySearch

BDBM11157 (1R)-1-(3,4-difluorobenzyl)-3-(5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-3-oxopropylamine hydrochloride::(3R)-3-amino-4-(3,4-difluorophenyl)-1-{5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl}butan-1-one hydrochloride::Triazolopiperazine Analogue 22

SMILES: N[C@@H](CC(=O)N1CCn2cnnc2C1)Cc1ccc(F)c(F)c1

InChI Key: InChIKey=USMWCVGVKPHTMB-LLVKDONJSA-N

Data: 4 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 4 hits for monomerid = 11157
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))	BDBM11157 ((1R)-1-(3,4-difluorobenzyl)-3-(5,6-dihydro[1,2,4]t...) Show SMILES Show InChI	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	455	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 2 (DPP II) (Homo sapiens (Human))	BDBM11157 ((1R)-1-(3,4-difluorobenzyl)-3-(5,6-dihydro[1,2,4]t...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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))	BDBM11157 ((1R)-1-(3,4-difluorobenzyl)-3-(5,6-dihydro[1,2,4]t...) Show SMILES Show InChI	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	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))	BDBM11157 ((1R)-1-(3,4-difluorobenzyl)-3-(5,6-dihydro[1,2,4]t...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+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