Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'christiaans' and Initial = 'ja'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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)	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
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50222968 (Cipralisant | GT-2331) Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1 Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Binding affinity of compound against Histamine H3 receptor				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472544 (Iodoproxyfan) Show SMILES Ic1ccc(COCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472544 (Iodoproxyfan) Show SMILES Ic1ccc(COCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
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
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472543 (CHEMBL278276) Show SMILES [H][C@]1(C[C@@]1([H])c1c[nH]cn1)\C=C\[C@@H](N)CC1CCCCC1 Show InChI InChI=1S/C16H25N3/c17-14(8-12-4-2-1-3-5-12)7-6-13-9-15(13)16-10-18-11-19-16/h6-7,10-15H,1-5,8-9,17H2,(H,18,19)/b7-6+/t13-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Binding affinity of compound against Histamine H3 receptor				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214615 (CHEBI:64177 | Clobenpropit) Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214615 (CHEBI:64177 | Clobenpropit) Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50050180 (4-[3-(4-Bromo-benzyloxy)-propyl]-1H-imidazole | CH...) Show SMILES Brc1ccc(COCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50050180 (4-[3-(4-Bromo-benzyloxy)-propyl]-1H-imidazole | CH...) Show SMILES Brc1ccc(COCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50215536 ((R)-Alpha-Methylhistamine | CHEBI:73337 | CHEMBL26...) Show SMILES C[C@@H](N)Cc1c[nH]cn1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472551 (proxifan | proxyfan) Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1 Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50127607 ((1R,2R)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...) Show SMILES N[C@@H]1C[C@H]1c1cnc[nH]1 Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Binding affinity of compound against Histamine H3 receptor				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472551 (proxifan | proxyfan) Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1 Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description PKi was measured by Histamine H3 receptor binding assay (N-alpha-MeHA) on rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472556 (CHEMBL428343) Show SMILES N[C@H](COCC1CCCCC1)Cc1c[nH]cn1 Show InChI InChI=1S/C13H23N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h7,10-12H,1-6,8-9,14H2,(H,15,16)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472542 (CHEMBL18554) Show SMILES [H][C@@]1(C[C@]1([H])c1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1 Show InChI InChI=1S/C15H18N4O/c16-12(6-10-4-2-1-3-5-10)15(20)19-13-7-11(13)14-8-17-9-18-14/h1-5,8-9,11-13H,6-7,16H2,(H,17,18)(H,19,20)/t11-,12-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Binding affinity of compound against Histamine H3 receptor				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50127605 ((1S,2S)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...) Show SMILES N[C@H]1C[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Binding affinity of compound against Histamine H3 receptor				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472547 (CHEMBL19413) Show SMILES N[C@H](COCc1ccccc1)Cc1c[nH]cn1 Show InChI InChI=1S/C13H17N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h1-5,7,10,12H,6,8-9,14H2,(H,15,16)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472545 (CHEMBL418736) Show SMILES N[C@H](COCc1ccc(Br)cc1)Cc1c[nH]cn1 Show InChI InChI=1S/C13H16BrN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472546 (CHEMBL19469) Show SMILES [H][C@]1(C[C@@]1([H])c1c[nH]cn1)\C=C/[C@@H](N)CC1CCCCC1 Show InChI InChI=1S/C16H25N3/c17-14(8-12-4-2-1-3-5-12)7-6-13-9-15(13)16-10-18-11-19-16/h6-7,10-15H,1-5,8-9,17H2,(H,18,19)/b7-6-/t13-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Binding affinity of compound against Histamine H3 receptor				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472552 (CHEMBL18696) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCc1c[nH]cn1 Show InChI InChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Binding affinity of compound against Histamine H3 receptor				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472559 ((S)-Alpha-Methylhistamine | CHEMBL11919) Show SMILES C[C@H](N)Cc1c[nH]cn1 Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472560 (CHEMBL276987) Show SMILES N[C@@H](COCC1CCCCC1)Cc1c[nH]cn1 Show InChI InChI=1S/C13H23N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h7,10-12H,1-6,8-9,14H2,(H,15,16)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472558 (CHEMBL18685) Show SMILES N[C@@H](COCc1ccc(Br)cc1)Cc1c[nH]cn1 Show InChI InChI=1S/C13H16BrN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472550 (CHEMBL19329) Show SMILES N[C@@H](COCc1ccc(I)cc1)Cc1c[nH]cn1 Show InChI InChI=1S/C13H16IN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472557 (CHEMBL416365) Show SMILES N[C@H](COCc1ccc(I)cc1)Cc1c[nH]cn1 Show InChI InChI=1S/C13H16IN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472549 (CHEBI:16255 | HISTIDINOL) Show SMILES N[C@H](CO)Cc1c[nH]cn1 Show InChI InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472554 (CHEMBL280034) Show SMILES N[C@@H](COCc1ccccc1)Cc1c[nH]cn1 Show InChI InChI=1S/C13H17N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h1-5,7,10,12H,6,8-9,14H2,(H,15,16)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472553 (CHEMBL19588) Show SMILES N[C@@H](CO)Cc1c[nH]cn1 Show InChI InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472548 (CHEMBL418734) Show SMILES COC[C@@H](N)Cc1c[nH]cn1 Show InChI InChI=1S/C7H13N3O/c1-11-4-6(8)2-7-3-9-5-10-7/h3,5-6H,2,4,8H2,1H3,(H,9,10)/t6-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Affinity for histamine H3 receptor in rat cerebral cortex.				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50472555 (CHEMBL18884) Show SMILES N[C@H](Cc1ccccc1)C(=O)NCCc1c[nH]cn1 Show InChI InChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Binding affinity of compound against Histamine H3 receptor				J Med Chem 42: 1193-202 (1999) Article DOI: 10.1021/jm980408v BindingDB Entry DOI: 10.7270/Q20Z760D
					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	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
					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	n/a	n/a	0.200	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
					More data for this Ligand-Target Pair
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	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
					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	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50170689 (1-{(S)-2-[(S)-2-(2-Hydroxy-acetyl)-pyrrolidine-1-c...) Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 Show InChI InChI=1S/C21H28N2O4/c24-15-19(25)17-10-5-14-23(17)21(27)18-11-6-13-22(18)20(26)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18,24H,4-6,9-15H2/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
					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	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
					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	n/a	n/a	0.300	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)	BDBM50134170 (1-((S)-2-Cyclopentanecarbonyl-pyrrolidin-1-yl)-5-{...) Show SMILES CC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CO Show InChI InChI=1S/C28H43N3O6/c1-28(2,16-24(34)29-13-6-11-21(29)26(36)19-8-3-4-9-19)17-25(35)30-14-7-12-22(30)27(37)31-15-5-10-20(31)23(33)18-32/h19-22,32H,3-18H2,1-2H3/t20-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description In vitro inhibition of prolyl oligopeptidase (POP) from pig brain				J Med Chem 46: 4543-51 (2003) Article DOI: 10.1021/jm030811o BindingDB Entry DOI: 10.7270/Q2H70F6R
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50134170 (1-((S)-2-Cyclopentanecarbonyl-pyrrolidin-1-yl)-5-{...) Show SMILES CC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CO Show InChI InChI=1S/C28H43N3O6/c1-28(2,16-24(34)29-13-6-11-21(29)26(36)19-8-3-4-9-19)17-25(35)30-14-7-12-22(30)27(37)31-15-5-10-20(31)23(33)18-32/h19-22,32H,3-18H2,1-2H3/t20-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	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
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50038879 ((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pigbrain expressed				J Med Chem 45: 4581-4 (2002) BindingDB Entry DOI: 10.7270/Q22R3R02
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50038879 ((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.330	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50170712 ((S)-1-[(S)-1-(5-Azepan-1-yl-3,3-dimethyl-5-oxo-pen...) Show SMILES CC(C)(CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)CC(=O)N1CCCCCC1 Show InChI InChI=1S/C23H36N4O3/c1-23(2,15-20(28)25-11-5-3-4-6-12-25)16-21(29)27-14-8-10-19(27)22(30)26-13-7-9-18(26)17-24/h18-19H,3-16H2,1-2H3/t18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	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
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50134160 (2-Hydroxy-1-[(S)-1-((S)-1-{3-[(S)-2-(pyrrolidine-1...) Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C28H36N4O6/c33-18-24(34)21-9-4-14-30(21)28(38)23-11-6-16-32(23)26(36)20-8-3-7-19(17-20)25(35)31-15-5-10-22(31)27(37)29-12-1-2-13-29/h3,7-8,17,21-23,33H,1-2,4-6,9-16,18H2/t21-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description In vitro inhibition of prolyl oligopeptidase (POP) from pig brain				J Med Chem 46: 4543-51 (2003) Article DOI: 10.1021/jm030811o BindingDB Entry DOI: 10.7270/Q2H70F6R
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50134160 (2-Hydroxy-1-[(S)-1-((S)-1-{3-[(S)-2-(pyrrolidine-1...) Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C28H36N4O6/c33-18-24(34)21-9-4-14-30(21)28(38)23-11-6-16-32(23)26(36)20-8-3-7-19(17-20)25(35)31-15-5-10-22(31)27(37)29-12-1-2-13-29/h3,7-8,17,21-23,33H,1-2,4-6,9-16,18H2/t21-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	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
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50118910 (2-Hydroxy-1-[1-(1-{3-[2-(pyrrolidine-1-carbonyl)-p...) Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCCC1C(=O)N1CCCC1 Show InChI InChI=1S/C28H36N4O6/c33-18-24(34)21-9-4-14-30(21)28(38)23-11-6-16-32(23)26(36)20-8-3-7-19(17-20)25(35)31-15-5-10-22(31)27(37)29-12-1-2-13-29/h3,7-8,17,21-23,33H,1-2,4-6,9-16,18H2/t21-,22?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (1.1-2.2)				J Med Chem 45: 4581-4 (2002) BindingDB Entry DOI: 10.7270/Q22R3R02
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50134150 ((S)-1-{(S)-1-[5-((S)-2-Cyclopentanecarbonyl-pyrrol...) Show SMILES CC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C27H40N4O4/c1-27(2,16-23(32)30-14-6-11-21(30)25(34)19-8-3-4-9-19)17-24(33)31-15-7-12-22(31)26(35)29-13-5-10-20(29)18-28/h19-22H,3-17H2,1-2H3/t20-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.570	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
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50134150 ((S)-1-{(S)-1-[5-((S)-2-Cyclopentanecarbonyl-pyrrol...) Show SMILES CC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C27H40N4O4/c1-27(2,16-23(32)30-14-6-11-21(30)25(34)19-8-3-4-9-19)17-24(33)31-15-7-12-22(31)26(35)29-13-5-10-20(29)18-28/h19-22H,3-17H2,1-2H3/t20-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description In vitro inhibition of prolyl oligopeptidase (POP) from pig brain				J Med Chem 46: 4543-51 (2003) Article DOI: 10.1021/jm030811o BindingDB Entry DOI: 10.7270/Q2H70F6R
					More data for this Ligand-Target Pair

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