Compile Data Set for Download or QSAR

Found 11 hits of ki data for polymerid = 50000071,50007006   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE 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
					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 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50155839 ((S)-1-[(R)-2-(4-Phenyl-butyryl)-cyclopent-2-enecar...) Show SMILES O=C(CCCc1ccccc1)C1=CCC[C@H]1C(=O)N1CCC[C@H]1C#N |t:12| Show InChI InChI=1S/C21H24N2O2/c22-15-17-10-6-14-23(17)21(25)19-12-5-11-18(19)20(24)13-4-9-16-7-2-1-3-8-16/h1-3,7-8,11,17,19H,4-6,9-10,12-14H2/t17-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	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
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50051495 ((S)-2-[(S)-2-(2-Hydroxy-acetyl)-pyrrolidine-1-carb...) Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1 Show InChI InChI=1S/C19H25N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2,(H,20,26)/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0600	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
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50051495 ((S)-2-[(S)-2-(2-Hydroxy-acetyl)-pyrrolidine-1-carb...) Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1 Show InChI InChI=1S/C19H25N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2,(H,20,26)/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0600	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 poricne brain POP in expressed in Escherichia coli TOP10 competent cells pre-incubated for 2 hrs before Z-Gly-Pro-AMC substrate additio...				J Med Chem 59: 4221-34 (2016) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50155836 ((R)-5-[(S)-2-(2-Hydroxy-acetyl)-pyrrolidine-1-carb...) Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC=C1C(=O)NCc1ccccc1 |c:15| Show InChI InChI=1S/C20H24N2O4/c23-13-18(24)17-10-5-11-22(17)20(26)16-9-4-8-15(16)19(25)21-12-14-6-2-1-3-7-14/h1-3,6-8,16-17,23H,4-5,9-13H2,(H,21,25)/t16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	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
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50170682 ((S)-1-((S)-1-(3-((S)-2-(cyclopentanecarbonyl)pyrro...) Show SMILES O=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C28H34N4O4/c29-18-22-11-4-14-30(22)28(36)24-13-6-16-32(24)27(35)21-10-3-9-20(17-21)26(34)31-15-5-12-23(31)25(33)19-7-1-2-8-19/h3,9-10,17,19,22-24H,1-2,4-8,11-16H2/t22-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	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 brain POP				J Med Chem 53: 3423-38 (2010) Article DOI: 10.1021/jm901104g BindingDB Entry DOI: 10.7270/Q261119N
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50005880 (CHEMBL3236273) Show SMILES Ic1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C20H24IN3O2/c21-16-10-8-15(9-11-16)4-1-7-19(25)24-13-3-6-18(24)20(26)23-12-2-5-17(23)14-22/h8-11,17-18H,1-7,12-13H2/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	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
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50005872 (CHEMBL3236272) Show SMILES Ic1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N2CCCC2)cc1 |r| Show InChI InChI=1S/C19H25IN2O2/c20-16-10-8-15(9-11-16)5-3-7-18(23)22-14-4-6-17(22)19(24)21-12-1-2-13-21/h8-11,17H,1-7,12-14H2/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	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
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50316825 (2-(2,3-dihydro-1H-inden-2-yl)-1-((R)-4-((R)-4-(dim...) Show SMILES COC(OC)[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1 |r| Show InChI InChI=1S/C21H28N2O4S2/c1-26-21(27-2)18-11-29-13-23(18)20(25)17-10-28-12-22(17)19(24)9-14-7-15-5-3-4-6-16(15)8-14/h3-6,14,17-18,21H,7-13H2,1-2H3/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	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
					More data for this Ligand-Target Pair