Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'auclair' and Initial = 'k'   

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 (Rattus norvegicus)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD 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
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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 (Bos taurus)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.350	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 bovine serum using Z-Gly-Pro-NH-Mec fluorimetric substrate				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				3D Structure (crystal)
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180679 (CHEMBL3817958) Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:19| Show InChI InChI=1S/C21H23N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2/t16-,17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.75	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article 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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					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 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article 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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180679 (CHEMBL3817958) Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:19| Show InChI InChI=1S/C21H23N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2/t16-,17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193475 ((3R)-3-{[2-({2-[({[(1S)-1-carbamoyl-4-[(diaminomet...) Show SMILES [#6]C([#6])([#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8-])([#8-])=O)-n1cnc2c(-[#7])ncnc12)[#6@@H](-[#8])-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C29H51N12O18P3S/c1-29(2,22(45)26(47)35-7-5-17(42)34-8-9-63-11-18(43)40-15(24(31)46)4-3-6-36-28(32)33)12-56-62(53,54)59-61(51,52)55-10-16-21(58-60(48,49)50)20(44)27(57-16)41-14-39-19-23(30)37-13-38-25(19)41/h13-16,20-22,27,44-45H,3-12H2,1-2H3,(H2,31,46)(H,34,42)(H,35,47)(H,40,43)(H,51,52)(H,53,54)(H2,30,37,38)(H4,32,33,36)(H2,48,49,50)/p-4/t15-,16+,20+,21+,22-,27+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50316818 (((2S,3aS,7aS)-1-((1R,2R)-2-phenylcyclopropanecarbo...) Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1 |r| Show InChI InChI=1S/C22H28N2O2S/c25-21(18-13-17(18)15-6-2-1-3-7-15)24-19-9-5-4-8-16(19)12-20(24)22(26)23-10-11-27-14-23/h1-3,6-7,16-20H,4-5,8-14H2/t16-,17-,18+,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	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 using Z-Gly-Pro-7-AMC substrate				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
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193477 (3-((R)-4-(3-(2-(2-(((2R,3S,4R,5R,6R)-5-amino-6-((1...) Show SMILES CC(C)(COC(=O)CC(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C28H50N6O14S/c1-28(2,11-46-18(39)8-17(37)38)25(44)26(45)33-4-3-15(35)32-5-6-49-10-16(36)34-9-14-21(41)22(42)19(31)27(47-14)48-24-13(30)7-12(29)20(40)23(24)43/h12-14,19-25,27,40-44H,3-11,29-31H2,1-2H3,(H,32,35)(H,33,45)(H,34,36)(H,37,38)/t12-,13+,14-,19-,20+,21-,22-,23-,24-,25+,27-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.20	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193487 ((3R)-3-[(2-{[2-({[(3-{[3-(dimethylamino)propyl]ami...) Show SMILES CN(C)CCCNCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C31H57N10O17P3S/c1-31(2,26(45)29(46)36-11-7-21(42)35-12-14-62-16-22(43)34-10-5-8-33-9-6-13-40(3)4)17-55-61(52,53)58-60(50,51)54-15-20-25(57-59(47,48)49)24(44)30(56-20)41-19-39-23-27(32)37-18-38-28(23)41/h18-20,24-26,30,33,44-45H,5-17H2,1-4H3,(H,34,43)(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,32,37,38)(H2,47,48,49)/p-4/t20-,24-,25-,26+,30-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193484 (CID44414951 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...) Show SMILES CO[C@H]1O[C@H](CNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H](O)[C@H]1N Show InChI InChI=1S/C30H52N9O21P3S/c1-30(2,24(45)27(46)34-5-4-16(40)33-6-7-64-10-17(41)35-8-14-20(42)21(43)18(31)29(54-3)58-14)11-56-63(52,53)60-62(50,51)55-9-15-23(59-61(47,48)49)22(44)28(57-15)39-13-38-19-25(32)36-12-37-26(19)39/h12-15,18,20-24,28-29,42-45H,4-11,31H2,1-3H3,(H,33,40)(H,34,46)(H,35,41)(H,50,51)(H,52,53)(H2,32,36,37)(H2,47,48,49)/p-4/t14-,15-,18-,20-,21-,22-,23-,24+,28-,29+/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193478 (CID44415032 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...) Show SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NCCN1CCNCC1 Show InChI InChI=1S/C29H51N10O17P3S/c1-29(2,24(43)27(44)34-4-3-19(40)33-8-12-60-14-20(41)32-7-11-38-9-5-31-6-10-38)15-53-59(50,51)56-58(48,49)52-13-18-23(55-57(45,46)47)22(42)28(54-18)39-17-37-21-25(30)35-16-36-26(21)39/h16-18,22-24,28,31,42-43H,3-15H2,1-2H3,(H,32,41)(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,30,35,36)(H2,45,46,47)/p-4/t18-,22-,23-,24+,28-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193488 (CID44415033 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...) Show SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NCCCN1CCNCC1 Show InChI InChI=1S/C30H53N10O17P3S/c1-30(2,25(44)28(45)35-6-4-20(41)34-9-13-61-15-21(42)33-5-3-10-39-11-7-32-8-12-39)16-54-60(51,52)57-59(49,50)53-14-19-24(56-58(46,47)48)23(43)29(55-19)40-18-38-22-26(31)36-17-37-27(22)40/h17-19,23-25,29,32,43-44H,3-16H2,1-2H3,(H,33,42)(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,31,36,37)(H2,46,47,48)/p-4/t19-,23-,24-,25+,29-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180664 (CHEMBL3818013) Show SMILES [H][C@]12CN(OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:20| Show InChI InChI=1S/C21H23N3O3/c22-12-17-9-5-11-23(17)20(25)18-10-4-8-16-13-24(21(26)19(16)18)27-14-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2/t16-,17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193474 ((R)-4-(3-(2-(2-(((2R,3S,4R,5R,6R)-5-amino-6-((1R,2...) Show SMILES CC(=O)CC(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C29H52N6O13S/c1-13(36)8-19(39)46-12-29(2,3)26(44)27(45)34-5-4-17(37)33-6-7-49-11-18(38)35-10-16-22(41)23(42)20(32)28(47-16)48-25-15(31)9-14(30)21(40)24(25)43/h14-16,20-26,28,40-44H,4-12,30-32H2,1-3H3,(H,33,37)(H,34,45)(H,35,38)/t14-,15+,16-,20-,21+,22-,23-,24-,25-,26+,28-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193480 ((R)-4-(3-(2-(2-(((2R,3S,4R,5R,6R)-5-amino-6-((1R,2...) Show SMILES CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C25H49N6O14PS/c1-25(2,10-43-46(40,41)42)22(38)23(39)30-4-3-14(32)29-5-6-47-9-15(33)31-8-13-18(35)19(36)16(28)24(44-13)45-21-12(27)7-11(26)17(34)20(21)37/h11-13,16-22,24,34-38H,3-10,26-28H2,1-2H3,(H,29,32)(H,30,39)(H,31,33)(H2,40,41,42)/t11-,12+,13-,16-,17+,18-,19-,20-,21-,22+,24-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50393843 (CHEMBL2159748) Show SMILES O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r| Show InChI InChI=1S/C21H19N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180669 (CHEMBL3818020) Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:19| Show InChI InChI=1S/C20H24N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-9,16-18H,4-5,10-14H2/t16-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193476 (CID44415023 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...) Show SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C36H64N11O23P3S/c1-36(2,12-65-73(62,63)70-72(60,61)64-11-18-29(69-71(57,58)59)27(54)34(66-18)47-14-46-22-31(40)44-13-45-32(22)47)30(55)33(56)42-5-3-19(48)41-6-8-74-7-4-20(49)43-10-17-24(51)25(52)21(39)35(67-17)68-28-16(38)9-15(37)23(50)26(28)53/h13-18,21,23-30,34-35,50-55H,3-12,37-39H2,1-2H3,(H,41,48)(H,42,56)(H,43,49)(H,60,61)(H,62,63)(H2,40,44,45)(H2,57,58,59)/p-4/t15-,16+,17-,18-,21-,23+,24-,25-,26-,27-,28-,29-,30+,34-,35-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180678 (CHEMBL3819136) Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:20| Show InChI InChI=1S/C22H25N3O2/c1-15-9-10-17-14-24(13-16-6-3-2-4-7-16)21(26)20(17)19(15)22(27)25-11-5-8-18(25)12-23/h2-4,6-7,9-10,15,17-20H,5,8,11,13-14H2,1H3/t15-,17-,18-,19+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193486 (CID44415022 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...) Show SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C35H62N11O23P3S/c1-35(2,11-64-72(61,62)69-71(59,60)63-9-17-28(68-70(56,57)58)26(53)33(65-17)46-13-45-21-30(39)43-12-44-31(21)46)29(54)32(55)41-4-3-18(47)40-5-6-73-10-19(48)42-8-16-23(50)24(51)20(38)34(66-16)67-27-15(37)7-14(36)22(49)25(27)52/h12-17,20,22-29,33-34,49-54H,3-11,36-38H2,1-2H3,(H,40,47)(H,41,55)(H,42,48)(H,59,60)(H,61,62)(H2,39,43,44)(H2,56,57,58)/p-4/t14-,15+,16-,17-,20-,22+,23-,24-,25-,26-,27-,28-,29+,33-,34-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	76	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193482 (CID44414946 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...) Show SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C41H72N11O28P3S/c1-41(2,12-73-83(70,71)80-82(68,69)72-10-19-33(79-81(65,66)67)30(62)38(74-19)52-14-51-23-35(45)49-13-50-36(23)52)34(63)37(64)47-4-3-20(54)46-5-6-84-11-21(55)48-8-17-25(57)27(59)28(60)40(75-17)78-32-16(43)7-15(42)31(29(32)61)77-39-26(58)22(44)24(56)18(9-53)76-39/h13-19,22,24-34,38-40,53,56-63H,3-12,42-44H2,1-2H3,(H,46,54)(H,47,64)(H,48,55)(H,68,69)(H,70,71)(H2,45,49,50)(H2,65,66,67)/p-4/t15-,16+,17-,18-,19-,22+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34+,38-,39-,40-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	110	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193479 (CID44414949 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...) Show SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C46H80N11O32P3S/c1-46(2,13-80-92(77,78)89-91(75,76)79-11-21-36(88-90(72,73)74)33(69)42(81-21)57-15-56-25-39(50)54-14-55-40(25)57)38(70)41(71)52-4-3-22(60)51-5-6-93-12-23(61)53-8-18-26(62)29(65)24(49)43(82-18)85-34-16(47)7-17(48)35(32(34)68)86-45-37(30(66)27(63)19(9-58)84-45)87-44-31(67)28(64)20(10-59)83-44/h14-21,24,26-38,42-45,58-59,62-70H,3-13,47-49H2,1-2H3,(H,51,60)(H,52,71)(H,53,61)(H,75,76)(H,77,78)(H2,50,54,55)(H2,72,73,74)/p-4/t16-,17+,18+,19+,20+,21+,24+,26+,27+,28+,29+,30-,31+,32-,33+,34+,35-,36+,37+,38-,42+,43+,44-,45+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	119	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193485 ((3R)-3-{[2-({2-[({[(5S)-5-acetamido-6-methoxy-6-ox...) Show SMILES COC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)NC(C)=O Show InChI InChI=1S/C32H54N9O20P3S/c1-18(42)40-19(31(48)56-4)7-5-6-9-34-22(44)14-65-12-11-35-21(43)8-10-36-29(47)26(46)32(2,3)15-58-64(54,55)61-63(52,53)57-13-20-25(60-62(49,50)51)24(45)30(59-20)41-17-39-23-27(33)37-16-38-28(23)41/h16-17,19-20,24-26,30,45-46H,5-15H2,1-4H3,(H,34,44)(H,35,43)(H,36,47)(H,40,42)(H,52,53)(H,54,55)(H2,33,37,38)(H2,49,50,51)/p-4/t19-,20+,24+,25+,26-,30+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193483 (CID44415024 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...) Show SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCCCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C37H66N11O23P3S/c1-37(2,13-66-74(63,64)71-73(61,62)65-12-19-30(70-72(58,59)60)28(55)35(67-19)48-15-47-23-32(41)45-14-46-33(23)48)31(56)34(57)43-6-5-21(50)42-7-9-75-8-3-4-20(49)44-11-18-25(52)26(53)22(40)36(68-18)69-29-17(39)10-16(38)24(51)27(29)54/h14-19,22,24-31,35-36,51-56H,3-13,38-40H2,1-2H3,(H,42,50)(H,43,57)(H,44,49)(H,61,62)(H,63,64)(H2,41,45,46)(H2,58,59,60)/p-4/t16-,17+,18-,19-,22-,24+,25-,26-,27-,28-,29-,30-,31+,35-,36-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	161	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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180668 (CHEMBL3819096) Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC1 |r,c:20| Show InChI InChI=1S/C21H26N2O2/c1-15-9-10-17-14-23(13-16-7-3-2-4-8-16)21(25)19(17)18(15)20(24)22-11-5-6-12-22/h2-4,7-10,15,17-19H,5-6,11-14H2,1H3/t15-,17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition				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 (Homo sapiens (Human))	BDBM50180667 (CHEMBL3818815) Show SMILES [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:23| Show InChI InChI=1S/C22H24N4O4/c23-12-17-9-5-11-25(17)20(27)18-10-4-8-16-13-26(21(28)19(16)18)24-22(29)30-14-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2,(H,24,29)/t16-,17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+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 human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition				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 (Homo sapiens (Human))	BDBM50180681 (CHEMBL3818902) Show SMILES [H][C@@]12CN(Cc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:19| Show InChI InChI=1S/C21H23N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2/t16-,17+,18+,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+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 human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition				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 (Homo sapiens (Human))	BDBM50180665 (CHEMBL3819346) Show SMILES [H][C@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:22| Show InChI InChI=1S/C22H24N4O3/c23-13-17-9-5-11-25(17)21(28)18-10-4-8-16-14-26(22(29)20(16)18)24-19(27)12-15-6-2-1-3-7-15/h1-4,6-8,16-18,20H,5,9-12,14H2,(H,24,27)/t16-,17-,18+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+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 human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition				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 (Homo sapiens (Human))	BDBM50180670 (CHEMBL3819362) Show SMILES [H][C@]12CN(OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:20| Show InChI InChI=1S/C20H24N2O3/c23-19(21-11-4-5-12-21)17-10-6-9-16-13-22(20(24)18(16)17)25-14-15-7-2-1-3-8-15/h1-3,6-9,16-18H,4-5,10-14H2/t16-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+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 human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition				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
GNAT family acetyltransferase (Enterococcus durans)	BDBM50193481 (CID44414945 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...) Show SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCCCCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C38H68N11O23P3S/c1-38(2,14-67-75(64,65)72-74(62,63)66-13-20-31(71-73(59,60)61)29(56)36(68-20)49-16-48-24-33(42)46-15-47-34(24)49)32(57)35(58)44-7-6-22(51)43-8-10-76-9-4-3-5-21(50)45-12-19-26(53)27(54)23(41)37(69-19)70-30-18(40)11-17(39)25(52)28(30)55/h15-20,23,25-32,36-37,52-57H,3-14,39-41H2,1-2H3,(H,43,51)(H,44,58)(H,45,50)(H,62,63)(H,64,65)(H2,42,46,47)(H2,59,60,61)/p-4/t17-,18+,19-,20-,23-,25+,26-,27-,28-,29-,30-,31-,32+,36-,37-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.00E+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 Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180673 (CHEMBL3819408) Show SMILES [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:23| Show InChI InChI=1S/C21H25N3O4/c25-19(23-11-4-5-12-23)17-10-6-9-16-13-24(20(26)18(16)17)22-21(27)28-14-15-7-2-1-3-8-15/h1-3,6-9,16-18H,4-5,10-14H2,(H,22,27)/t16-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180680 (CHEMBL3818446) Show SMILES [H][C@@]12CN(Cc3ccccc3)C(=O)[C@@]1([H])[C@H]([C@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:20| Show InChI InChI=1S/C22H25N3O2/c1-15-9-10-17-14-24(13-16-6-3-2-4-7-16)21(26)20(17)19(15)22(27)25-11-5-8-18(25)12-23/h2-4,6-7,9-10,15,17-20H,5,8,11,13-14H2,1H3/t15-,17-,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+4	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180666 (CHEMBL3818472) Show SMILES [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:24| Show InChI InChI=1S/C23H26N4O4/c1-15-9-10-17-13-27(25-23(30)31-14-16-6-3-2-4-7-16)22(29)20(17)19(15)21(28)26-11-5-8-18(26)12-24/h2-4,6-7,9-10,15,17-20H,5,8,11,13-14H2,1H3,(H,25,30)/t15-,17-,18-,19+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.25E+4	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180671 (CHEMBL3819072) Show SMILES [H][C@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:22| Show InChI InChI=1S/C21H25N3O3/c25-18(13-15-7-2-1-3-8-15)22-24-14-16-9-6-10-17(19(16)21(24)27)20(26)23-11-4-5-12-23/h1-3,6-9,16-17,19H,4-5,10-14H2,(H,22,25)/t16-,17+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+4	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180672 (CHEMBL3818541) Show SMILES [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC1 |r,c:24| Show InChI InChI=1S/C22H27N3O4/c1-15-9-10-17-13-25(23-22(28)29-14-16-7-3-2-4-8-16)21(27)19(17)18(15)20(26)24-11-5-6-12-24/h2-4,7-10,15,17-19H,5-6,11-14H2,1H3,(H,23,28)/t15-,17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70E+4	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180677 (CHEMBL3818999) Show SMILES [H][C@@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:23| Show InChI InChI=1S/C22H24N4O4/c23-12-17-9-5-11-25(17)20(27)18-10-4-8-16-13-26(21(28)19(16)18)24-22(29)30-14-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2,(H,24,29)/t16-,17+,18+,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+4	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180674 (CHEMBL3818697) Show SMILES [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C#N |r,c:23| Show InChI InChI=1S/C17H17N3O3/c18-9-13-7-4-8-14-10-20(16(21)15(13)14)19-17(22)23-11-12-5-2-1-3-6-12/h1-6,8,13-15H,7,10-11H2,(H,19,22)/t13-,14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+5	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180682 (CHEMBL3819233) Show SMILES [H][C@@]12CN(OCc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:20| Show InChI InChI=1S/C21H23N3O3/c22-12-17-9-5-11-23(17)20(25)18-10-4-8-16-13-24(21(26)19(16)18)27-14-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2/t16-,17+,18+,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+5	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180676 (CHEMBL3818703) Show SMILES [H][C@@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@@]1([H])[C@H]([C@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:24| Show InChI InChI=1S/C23H26N4O4/c1-15-9-10-17-13-27(25-23(30)31-14-16-6-3-2-4-7-16)22(29)20(17)19(15)21(28)26-11-5-8-18(26)12-24/h2-4,6-7,9-10,15,17-20H,5,8,11,13-14H2,1H3,(H,25,30)/t15-,17-,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+5	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50180675 (CHEMBL3819297) Show SMILES [H][C@@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:22| Show InChI InChI=1S/C22H24N4O3/c23-13-17-9-5-11-25(17)21(28)18-10-4-8-16-14-26(22(29)20(16)18)24-19(27)12-15-6-2-1-3-7-15/h1-4,6-8,16-18,20H,5,9-12,14H2,(H,24,27)/t16-,17+,18+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+5	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) Article DOI: 10.1021/acs.jmedchem.5b01296 BindingDB Entry DOI: 10.7270/Q2Z89FBB
					More data for this Ligand-Target Pair
Type III pantothenate kinase (Bacillus anthracis)	BDBM50466686 (CHEMBL4292402) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](Cn2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H26N8O9/c20-16-10-17(22-5-21-16)27(6-23-10)18-14(32)11(29)8(35-18)2-26-1-7(24-25-26)4-34-19-15(33)13(31)12(30)9(3-28)36-19/h1,5-6,8-9,11-15,18-19,28-33H,2-4H2,(H2,20,21,22)/t8-,9-,11-,12+,13+,14-,15-,18-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.64E+5	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 Bacillus anthracis pantothenate kinase 3				Bioorg Med Chem 26: 5896-5902 (2018) Article DOI: 10.1016/j.bmc.2018.10.042 BindingDB Entry DOI: 10.7270/Q2251MWF
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50312223 ((2R,5S,7R)-1-Aza-7-benzyloxycarbonylamino-8-oxo-4-...) Show SMILES O=C(N[C@@H]1C[C@@H]2SC[C@@H](C#N)N2C1=O)OCc1ccccc1 |r| Show InChI InChI=1S/C15H15N3O3S/c16-7-11-9-22-13-6-12(14(19)18(11)13)17-15(20)21-8-10-4-2-1-3-5-10/h1-5,11-13H,6,8-9H2,(H,17,20)/t11-,12-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of poricne POP in cell lysates incubated for 60 mins using Z-Gly-Pro-AMC as a substrate by fluorescence assay				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 (Homo sapiens (Human))	BDBM50312223 ((2R,5S,7R)-1-Aza-7-benzyloxycarbonylamino-8-oxo-4-...) Show SMILES O=C(N[C@@H]1C[C@@H]2SC[C@@H](C#N)N2C1=O)OCc1ccccc1 |r| Show InChI InChI=1S/C15H15N3O3S/c16-7-11-9-22-13-6-12(14(19)18(11)13)17-15(20)21-8-10-4-2-1-3-5-10/h1-5,11-13H,6,8-9H2,(H,17,20)/t11-,12-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of POP (unknown origin) in living cells				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
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92669 (Auxiliary substrate, 14a) Show SMILES CCCCCCCCOC(=O)c1cccnc1 Show InChI InChI=1S/C14H21NO2/c1-2-3-4-5-6-7-11-17-14(16)13-9-8-10-15-12-13/h8-10,12H,2-7,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92667 (Auxiliary substrate, 12a) Show SMILES CCCCCOC(=O)c1cccnc1 Show InChI InChI=1S/C11H15NO2/c1-2-3-4-8-14-11(13)10-6-5-7-12-9-10/h5-7,9H,2-4,8H2,1H3	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	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92666 (Auxiliary substrate, 11a) Show SMILES CC(C)CCCCOC(=O)c1cccnc1 Show InChI InChI=1S/C13H19NO2/c1-11(2)6-3-4-9-16-13(15)12-7-5-8-14-10-12/h5,7-8,10-11H,3-4,6,9H2,1-2H3	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	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92665 (Auxiliary substrate, 10a) Show SMILES CCC(C)CCOC(=O)c1cccnc1 Show InChI InChI=1S/C12H17NO2/c1-3-10(2)6-8-15-12(14)11-5-4-7-13-9-11/h4-5,7,9-10H,3,6,8H2,1-2H3	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	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92670 (Auxiliary substrate, 16a) Show SMILES CC\C=C\CCOC(=O)c1cccnc1 Show InChI InChI=1S/C12H15NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h3-4,6-8,10H,2,5,9H2,1H3/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
McGill University					Assay Description All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.				Chembiochem 13: 2527-36 (2012) Article DOI: 10.1002/cbic.201200524 BindingDB Entry DOI: 10.7270/Q2PR7TKM
					More data for this Ligand-Target Pair

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