BindingDB PrimarySearch

BDBM11679 (2S,3S)-4-cyclopropyl-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[3-(4-methanesulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate::alpha-amino acid pyrrolidide 41::oxadiazole based amide

SMILES: CS(=O)(=O)c1ccc(cc1)-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1

InChI Key: InChIKey=WTLFRZGLMDADRS-XIRDDKMYSA-O

Data: 4 IC50

PDB links: 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 = 11679
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))	BDBM11679 ((2S,3S)-4-cyclopropyl-1-[(3S)-3-fluoropyrrolidin-1...) 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	52	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 16: 5373-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.061 BindingDB Entry DOI: 10.7270/Q2JD4V0K
Merck Research Laboratories					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM11679 ((2S,3S)-4-cyclopropyl-1-[(3S)-3-fluoropyrrolidin-1...) 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	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 16: 5373-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.061 BindingDB Entry DOI: 10.7270/Q2JD4V0K
Merck Research Laboratories					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM11679 ((2S,3S)-4-cyclopropyl-1-[(3S)-3-fluoropyrrolidin-1...) 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	>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 16: 5373-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.061 BindingDB Entry DOI: 10.7270/Q2JD4V0K
Merck Research Laboratories					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM11679 ((2S,3S)-4-cyclopropyl-1-[(3S)-3-fluoropyrrolidin-1...) 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	2.04E+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 16: 5373-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.061 BindingDB Entry DOI: 10.7270/Q2JD4V0K
Merck Research Laboratories					More data for this Ligand-Target Pair