BindingDB PrimarySearch

BDBM11148 (1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-(4-{2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate::(2S,3S)-4-(dimethylamino)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-1,4-dioxobutan-2-aminium trifluoroacetate::Biarylphenylalanine (S)-Fluoropyrrolidide Amide 27

SMILES: CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nc(C)nn2c1

InChI Key: InChIKey=RQEAREZVNCJRJQ-JBACZVJFSA-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 = 11148
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))	BDBM11148 ((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...) 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	22	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 49: 3614-27 (2006) Article DOI: 10.1021/jm060015t BindingDB Entry DOI: 10.7270/Q2N87807
Merck Research Laboratories					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM11148 ((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...) 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...				J Med Chem 49: 3614-27 (2006) Article DOI: 10.1021/jm060015t BindingDB Entry DOI: 10.7270/Q2N87807
Merck Research Laboratories					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM11148 ((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...) 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...				J Med Chem 49: 3614-27 (2006) Article DOI: 10.1021/jm060015t BindingDB Entry DOI: 10.7270/Q2N87807
Merck Research Laboratories					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM11148 ((1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrr...) 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+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...				J Med Chem 49: 3614-27 (2006) Article DOI: 10.1021/jm060015t BindingDB Entry DOI: 10.7270/Q2N87807
Merck Research Laboratories					More data for this Ligand-Target Pair