BindingDB PrimarySearch

BDBM50155838 (S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carbonitrile::(S)-1-[(S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile::CHEMBL189620

SMILES: O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=SPXFAUXQZWJGCJ-ROUUACIJSA-N

Data: 7 KI 8 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50155838
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
Prolyl endopeptidase (Rattus norvegicus)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of POP in Han/Wistar rat brain using Suc-Gly-Pro-AMC substrate incubated for 60 mins				J Med Chem 59: 4221-34 (2016) BindingDB Entry DOI: 10.7270/Q2Z89FBB
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate				J Med Chem 47: 5605-7 (2004) Article DOI: 10.1021/jm049503w BindingDB Entry DOI: 10.7270/Q25D8R9G
University of Kuopio Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of prolyl oligopeptidase (unknown origin)				Eur J Med Chem 79: 436-45 (2014) Article DOI: 10.1016/j.ejmech.2014.04.014 BindingDB Entry DOI: 10.7270/Q2G162BW
University of Helsinki Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of pig POP				J Med Chem 53: 3423-38 (2010) Article DOI: 10.1021/jm901104g BindingDB Entry DOI: 10.7270/Q261119N
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of porcine prolyl oligopeptidase using Z-Gly-Pro-AMC as substrate after 60 mins by double-reciprocal plot analysis				Eur J Med Chem 79: 436-45 (2014) Article DOI: 10.1016/j.ejmech.2014.04.014 BindingDB Entry DOI: 10.7270/Q2G162BW
University of Helsinki Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human POP by tight binding based Morrison equation analysis				J Med Chem 59: 4221-34 (2016) BindingDB Entry DOI: 10.7270/Q2Z89FBB
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition				J Med Chem 59: 4221-34 (2016) BindingDB Entry DOI: 10.7270/Q2Z89FBB
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant porcine brain PREP expressed in Escherichia coli assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394
University of Helsinki Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate				J Med Chem 55: 9856-67 (2012) Article DOI: 10.1021/jm301060g BindingDB Entry DOI: 10.7270/Q2SN0B3S
University of Antwerp Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast activation protein (FAP) (Mus musculus (Mouse))	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...				J Med Chem 55: 9856-67 (2012) Article DOI: 10.1021/jm301060g BindingDB Entry DOI: 10.7270/Q2SN0B3S
University of Antwerp Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...				J Med Chem 55: 9856-67 (2012) Article DOI: 10.1021/jm301060g BindingDB Entry DOI: 10.7270/Q2SN0B3S
University of Antwerp Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...				J Med Chem 55: 9856-67 (2012) Article DOI: 10.1021/jm301060g BindingDB Entry DOI: 10.7270/Q2SN0B3S
University of Antwerp Curated by ChEMBL					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394
University of Helsinki Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate				J Med Chem 47: 5605-7 (2004) Article DOI: 10.1021/jm049503w BindingDB Entry DOI: 10.7270/Q25D8R9G
University of Kuopio Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.0	n/a
University of Kuopio Curated by ChEMBL					Assay Description In vitro inhibitory activity against porcine prolyl oligopeptidase by using 4 mM Suc-Gly-Pro-7-amido-4-methylcoumarin as substrate (pH 7.0) at 30 deg...				J Med Chem 48: 4772-82 (2005) Article DOI: 10.1021/jm0500020 BindingDB Entry DOI: 10.7270/Q22B8ZT2
University of Kuopio Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)