Compile Data Set for Download or QSAR

Found 503 hits with Last Name = 'james' and Initial = 'ke'   

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
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22125 (aza-peptide Michael acceptor, 5i | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C28H34N6O7/c1-19(31-28(40)41-18-22-12-8-5-9-13-22)26(38)30-20(2)27(39)32-34(17-23(29)35)25(37)15-14-24(36)33(3)16-21-10-6-4-7-11-21/h4-15,19-20H,16-18H2,1-3H3,(H2,29,35)(H,30,38)(H,31,40)(H,32,39)/t19-,20-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22128 (aza-peptide Michael acceptor, 5l | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)c1ccccc1 |r,w:28.28| Show InChI InChI=1S/C33H36N6O7/c1-23(36-33(45)46-22-26-14-8-4-9-15-26)31(43)35-24(2)32(44)37-39(21-28(34)40)30(42)19-18-29(41)38(27-16-10-5-11-17-27)20-25-12-6-3-7-13-25/h3-19,23-24H,20-22H2,1-2H3,(H2,34,40)(H,35,43)(H,36,45)(H,37,44)/t23-,24-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22116 (aza-peptide Michael acceptor, 7b | benzyl (2E)-3-{...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C27H31N5O8/c1-18(30-27(38)40-17-21-11-7-4-8-12-21)25(36)29-19(2)26(37)31-32(15-22(28)33)23(34)13-14-24(35)39-16-20-9-5-3-6-10-20/h3-14,18-19H,15-17H2,1-2H3,(H2,28,33)(H,29,36)(H,30,38)(H,31,37)/t18-,19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22125 (aza-peptide Michael acceptor, 5i | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C28H34N6O7/c1-19(31-28(40)41-18-22-12-8-5-9-13-22)26(38)30-20(2)27(39)32-34(17-23(29)35)25(37)15-14-24(36)33(3)16-21-10-6-4-7-11-21/h4-15,19-20H,16-18H2,1-3H3,(H2,29,35)(H,30,38)(H,31,40)(H,32,39)/t19-,20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22128 (aza-peptide Michael acceptor, 5l | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)c1ccccc1 |r,w:28.28| Show InChI InChI=1S/C33H36N6O7/c1-23(36-33(45)46-22-26-14-8-4-9-15-26)31(43)35-24(2)32(44)37-39(21-28(34)40)30(42)19-18-29(41)38(27-16-10-5-11-17-27)20-25-12-6-3-7-13-25/h3-19,23-24H,20-22H2,1-2H3,(H2,34,40)(H,35,43)(H,36,45)(H,37,44)/t23-,24-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22135 (aza-peptide Michael acceptor, 5o | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 |r,w:28.28| Show InChI InChI=1S/C34H37FN6O7/c1-23(38-34(47)48-22-27-11-7-4-8-12-27)32(45)37-24(2)33(46)39-41(21-29(36)42)31(44)18-17-30(43)40(19-25-9-5-3-6-10-25)20-26-13-15-28(35)16-14-26/h3-18,23-24H,19-22H2,1-2H3,(H2,36,42)(H,37,45)(H,38,47)(H,39,46)/t23-,24-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22126 (aza-peptide Michael acceptor, 5j | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C32H36N6O7/c1-21(35-32(44)45-20-23-10-5-4-6-11-23)30(42)34-22(2)31(43)36-38(19-27(33)39)29(41)17-16-28(40)37(3)18-25-14-9-13-24-12-7-8-15-26(24)25/h4-17,21-22H,18-20H2,1-3H3,(H2,33,39)(H,34,42)(H,35,44)(H,36,43)/t21-,22-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22138 (aza-peptide Michael acceptor, 5r | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1cccc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C38H40N6O7/c1-26(41-38(50)51-25-29-14-7-4-8-15-29)36(48)40-27(2)37(49)42-44(24-33(39)45)35(47)21-20-34(46)43(22-28-12-5-3-6-13-28)23-31-18-11-17-30-16-9-10-19-32(30)31/h3-21,26-27H,22-25H2,1-2H3,(H2,39,45)(H,40,48)(H,41,50)(H,42,49)/t26-,27-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22124 (aza-peptide Michael acceptor, 5h | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)c1ccccc1 |r,w:28.28| Show InChI InChI=1S/C27H32N6O7/c1-18(30-27(39)40-17-20-10-6-4-7-11-20)25(37)29-19(2)26(38)31-33(16-22(28)34)24(36)15-14-23(35)32(3)21-12-8-5-9-13-21/h4-15,18-19H,16-17H2,1-3H3,(H2,28,34)(H,29,37)(H,30,39)(H,31,38)/t18-,19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22130 (aza-peptide Michael acceptor, 5n | benzyl N-[(1S)-...) Show SMILES COc1ccc(CN(Cc2ccccc2)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1 |r,w:18.19| Show InChI InChI=1S/C35H40N6O8/c1-24(38-35(47)49-23-28-12-8-5-9-13-28)33(45)37-25(2)34(46)39-41(22-30(36)42)32(44)19-18-31(43)40(20-26-10-6-4-7-11-26)21-27-14-16-29(48-3)17-15-27/h4-19,24-25H,20-23H2,1-3H3,(H2,36,42)(H,37,45)(H,38,47)(H,39,46)/t24-,25-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22145 (Biotinylated Michael acceptor, 12 | ethyl (2E)-4-[...) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCC)[C@@]1([H])NC(=O)N2 |r,w:29.28| Show InChI InChI=1S/C24H37N7O8S/c1-4-39-20(35)10-9-19(34)31(11-17(25)32)30-23(37)14(3)27-22(36)13(2)26-18(33)8-6-5-7-16-21-15(12-40-16)28-24(38)29-21/h9-10,13-16,21H,4-8,11-12H2,1-3H3,(H2,25,32)(H,26,33)(H,27,36)(H,30,37)(H2,28,29,38)/t13-,14-,15-,16-,21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22139 (aza-peptide Michael acceptor, 5s | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCCc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C29H34N6O7/c1-19(32-29(41)42-18-21-9-4-3-5-10-21)27(39)31-20(2)28(40)33-35(17-24(30)36)26(38)15-14-25(37)34-16-8-12-22-11-6-7-13-23(22)34/h3-7,9-11,13-15,19-20H,8,12,16-18H2,1-2H3,(H2,30,36)(H,31,39)(H,32,41)(H,33,40)/t19-,20-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22139 (aza-peptide Michael acceptor, 5s | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCCc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C29H34N6O7/c1-19(32-29(41)42-18-21-9-4-3-5-10-21)27(39)31-20(2)28(40)33-35(17-24(30)36)26(38)15-14-25(37)34-16-8-12-22-11-6-7-13-23(22)34/h3-7,9-11,13-15,19-20H,8,12,16-18H2,1-2H3,(H2,30,36)(H,31,39)(H,32,41)(H,33,40)/t19-,20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22114 (aza-peptide Michael acceptor, 7a | ethyl (2E)-4-[(...) Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:6.6| Show InChI InChI=1S/C22H29N5O8/c1-4-34-19(30)11-10-18(29)27(12-17(23)28)26-21(32)15(3)24-20(31)14(2)25-22(33)35-13-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H2,23,28)(H,24,31)(H,25,33)(H,26,32)/t14-,15-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22142 (aza-peptide Michael acceptor, 5v | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1Cc2ccccc2C1 |r,w:28.28| Show InChI InChI=1S/C28H32N6O7/c1-18(31-28(40)41-17-20-8-4-3-5-9-20)26(38)30-19(2)27(39)32-34(16-23(29)35)25(37)13-12-24(36)33-14-21-10-6-7-11-22(21)15-33/h3-13,18-19H,14-17H2,1-2H3,(H2,29,35)(H,30,38)(H,31,40)(H,32,39)/t18-,19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22114 (aza-peptide Michael acceptor, 7a | ethyl (2E)-4-[(...) Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:6.6| Show InChI InChI=1S/C22H29N5O8/c1-4-34-19(30)11-10-18(29)27(12-17(23)28)26-21(32)15(3)24-20(31)14(2)25-22(33)35-13-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H2,23,28)(H,24,31)(H,25,33)(H,26,32)/t14-,15-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22124 (aza-peptide Michael acceptor, 5h | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)c1ccccc1 |r,w:28.28| Show InChI InChI=1S/C27H32N6O7/c1-18(30-27(39)40-17-20-10-6-4-7-11-20)25(37)29-19(2)26(38)31-33(16-22(28)34)24(36)15-14-23(35)32(3)21-12-8-5-9-13-21/h4-15,18-19H,16-17H2,1-3H3,(H2,28,34)(H,29,37)(H,30,39)(H,31,38)/t18-,19-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22116 (aza-peptide Michael acceptor, 7b | benzyl (2E)-3-{...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C27H31N5O8/c1-18(30-27(38)40-17-21-11-7-4-8-12-21)25(36)29-19(2)26(37)31-32(15-22(28)33)23(34)13-14-24(35)39-16-20-9-5-3-6-10-20/h3-14,18-19H,15-17H2,1-2H3,(H2,28,33)(H,29,36)(H,30,38)(H,31,37)/t18-,19-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22126 (aza-peptide Michael acceptor, 5j | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C32H36N6O7/c1-21(35-32(44)45-20-23-10-5-4-6-11-23)30(42)34-22(2)31(43)36-38(19-27(33)39)29(41)17-16-28(40)37(3)18-25-14-9-13-24-12-7-8-15-26(24)25/h4-17,21-22H,18-20H2,1-3H3,(H2,33,39)(H,34,42)(H,35,44)(H,36,43)/t21-,22-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22138 (aza-peptide Michael acceptor, 5r | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1cccc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C38H40N6O7/c1-26(41-38(50)51-25-29-14-7-4-8-15-29)36(48)40-27(2)37(49)42-44(24-33(39)45)35(47)21-20-34(46)43(22-28-12-5-3-6-13-28)23-31-18-11-17-30-16-9-10-19-32(30)31/h3-21,26-27H,22-25H2,1-2H3,(H2,39,45)(H,40,48)(H,41,50)(H,42,49)/t26-,27-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22137 (aza-peptide Michael acceptor, 5q | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccc2ccccc2c1 |r,w:28.28| Show InChI InChI=1S/C38H40N6O7/c1-26(41-38(50)51-25-29-13-7-4-8-14-29)36(48)40-27(2)37(49)42-44(24-33(39)45)35(47)20-19-34(46)43(22-28-11-5-3-6-12-28)23-30-17-18-31-15-9-10-16-32(31)21-30/h3-21,26-27H,22-25H2,1-2H3,(H2,39,45)(H,40,48)(H,41,50)(H,42,49)/t26-,27-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22137 (aza-peptide Michael acceptor, 5q | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccc2ccccc2c1 |r,w:28.28| Show InChI InChI=1S/C38H40N6O7/c1-26(41-38(50)51-25-29-13-7-4-8-14-29)36(48)40-27(2)37(49)42-44(24-33(39)45)35(47)20-19-34(46)43(22-28-11-5-3-6-12-28)23-30-17-18-31-15-9-10-16-32(31)21-30/h3-21,26-27H,22-25H2,1-2H3,(H2,39,45)(H,40,48)(H,41,50)(H,42,49)/t26-,27-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22121 (aza-peptide Michael acceptor, 5e | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C27H32N6O7/c1-18(31-27(39)40-17-21-11-7-4-8-12-21)25(37)30-19(2)26(38)32-33(16-22(28)34)24(36)14-13-23(35)29-15-20-9-5-3-6-10-20/h3-14,18-19H,15-17H2,1-2H3,(H2,28,34)(H,29,35)(H,30,37)(H,31,39)(H,32,38)/t18-,19-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22145 (Biotinylated Michael acceptor, 12 | ethyl (2E)-4-[...) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCC)[C@@]1([H])NC(=O)N2 |r,w:29.28| Show InChI InChI=1S/C24H37N7O8S/c1-4-39-20(35)10-9-19(34)31(11-17(25)32)30-23(37)14(3)27-22(36)13(2)26-18(33)8-6-5-7-16-21-15(12-40-16)28-24(38)29-21/h9-10,13-16,21H,4-8,11-12H2,1-3H3,(H2,25,32)(H,26,33)(H,27,36)(H,30,37)(H2,28,29,38)/t13-,14-,15-,16-,21-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22123 (aza-peptide Michael acceptor, 5g | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCCc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C28H34N6O7/c1-19(32-28(40)41-18-22-11-7-4-8-12-22)26(38)31-20(2)27(39)33-34(17-23(29)35)25(37)14-13-24(36)30-16-15-21-9-5-3-6-10-21/h3-14,19-20H,15-18H2,1-2H3,(H2,29,35)(H,30,36)(H,31,38)(H,32,40)(H,33,39)/t19-,20-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22129 (aza-peptide Michael acceptor, 5m | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C34H38N6O7/c1-24(37-34(46)47-23-28-16-10-5-11-17-28)32(44)36-25(2)33(45)38-40(22-29(35)41)31(43)19-18-30(42)39(20-26-12-6-3-7-13-26)21-27-14-8-4-9-15-27/h3-19,24-25H,20-23H2,1-2H3,(H2,35,41)(H,36,44)(H,37,46)(H,38,45)/t24-,25-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22143 (aza-peptide Michael acceptor, 5w | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCC(=CC1)c1ccccc1 |r,w:28.28,c:36| Show InChI InChI=1S/C31H36N6O7/c1-21(34-31(43)44-20-23-9-5-3-6-10-23)29(41)33-22(2)30(42)35-37(19-26(32)38)28(40)14-13-27(39)36-17-15-25(16-18-36)24-11-7-4-8-12-24/h3-15,21-22H,16-20H2,1-2H3,(H2,32,38)(H,33,41)(H,34,43)(H,35,42)/t21-,22-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	BDBM22145 (Biotinylated Michael acceptor, 12 | ethyl (2E)-4-[...) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCC)[C@@]1([H])NC(=O)N2 |r,w:29.28| Show InChI InChI=1S/C24H37N7O8S/c1-4-39-20(35)10-9-19(34)31(11-17(25)32)30-23(37)14(3)27-22(36)13(2)26-18(33)8-6-5-7-16-21-15(12-40-16)28-24(38)29-21/h9-10,13-16,21H,4-8,11-12H2,1-3H3,(H2,25,32)(H,26,33)(H,27,36)(H,30,37)(H2,28,29,38)/t13-,14-,15-,16-,21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22140 (aza-peptide Michael acceptor, 5t | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc2C1 |r,w:28.28| Show InChI InChI=1S/C29H34N6O7/c1-19(32-29(41)42-18-21-8-4-3-5-9-21)27(39)31-20(2)28(40)33-35(17-24(30)36)26(38)13-12-25(37)34-15-14-22-10-6-7-11-23(22)16-34/h3-13,19-20H,14-18H2,1-2H3,(H2,30,36)(H,31,39)(H,32,41)(H,33,40)/t19-,20-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22120 (aza-peptide Michael acceptor, 5d | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)Nc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C26H30N6O7/c1-17(29-26(38)39-16-19-9-5-3-6-10-19)24(36)28-18(2)25(37)31-32(15-21(27)33)23(35)14-13-22(34)30-20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H2,27,33)(H,28,36)(H,29,38)(H,30,34)(H,31,37)/t17-,18-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22130 (aza-peptide Michael acceptor, 5n | benzyl N-[(1S)-...) Show SMILES COc1ccc(CN(Cc2ccccc2)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1 |r,w:18.19| Show InChI InChI=1S/C35H40N6O8/c1-24(38-35(47)49-23-28-12-8-5-9-13-28)33(45)37-25(2)34(46)39-41(22-30(36)42)32(44)19-18-31(43)40(20-26-10-6-4-7-11-26)21-27-14-16-29(48-3)17-15-27/h4-19,24-25H,20-23H2,1-3H3,(H2,36,42)(H,37,45)(H,38,47)(H,39,46)/t24-,25-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22141 (aza-peptide Michael acceptor, 5u | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C28H32N6O7/c1-18(31-28(40)41-17-20-8-4-3-5-9-20)26(38)30-19(2)27(39)32-34(16-23(29)35)25(37)13-12-24(36)33-15-14-21-10-6-7-11-22(21)33/h3-13,18-19H,14-17H2,1-2H3,(H2,29,35)(H,30,38)(H,31,40)(H,32,39)/t18-,19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22120 (aza-peptide Michael acceptor, 5d | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)Nc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C26H30N6O7/c1-17(29-26(38)39-16-19-9-5-3-6-10-19)24(36)28-18(2)25(37)31-32(15-21(27)33)23(35)14-13-22(34)30-20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H2,27,33)(H,28,36)(H,29,38)(H,30,34)(H,31,37)/t17-,18-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22142 (aza-peptide Michael acceptor, 5v | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1Cc2ccccc2C1 |r,w:28.28| Show InChI InChI=1S/C28H32N6O7/c1-18(31-28(40)41-17-20-8-4-3-5-9-20)26(38)30-19(2)27(39)32-34(16-23(29)35)25(37)13-12-24(36)33-14-21-10-6-7-11-22(21)15-33/h3-13,18-19H,14-17H2,1-2H3,(H2,29,35)(H,30,38)(H,31,40)(H,32,39)/t18-,19-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Ixodes ricinus)	BDBM22140 (aza-peptide Michael acceptor, 5t | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc2C1 |r,w:28.28| Show InChI InChI=1S/C29H34N6O7/c1-19(32-29(41)42-18-21-8-4-3-5-9-21)27(39)31-20(2)28(40)33-35(17-24(30)36)26(38)13-12-25(37)34-15-14-22-10-6-7-11-23(22)16-34/h3-13,19-20H,14-18H2,1-2H3,(H2,30,36)(H,31,39)(H,32,41)(H,33,40)/t19-,20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	BDBM22114 (aza-peptide Michael acceptor, 7a | ethyl (2E)-4-[(...) Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:6.6| Show InChI InChI=1S/C22H29N5O8/c1-4-34-19(30)11-10-18(29)27(12-17(23)28)26-21(32)15(3)24-20(31)14(2)25-22(33)35-13-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H2,23,28)(H,24,31)(H,25,33)(H,26,32)/t14-,15-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50143613 ((E)-3-{(S)-N'-[(S)-2-((S)-2-Benzyloxycarbonylamino...) Show SMILES CCOC(=O)\C=C\OC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C22H29N5O9/c1-4-34-18(29)10-11-35-22(33)27(12-17(23)28)26-20(31)15(3)24-19(30)14(2)25-21(32)36-13-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H2,23,28)(H,24,30)(H,25,32)(H,26,31)/b11-10+/t14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry and the Parker H. Petit Institute for Bioengineering and Bioscience Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated for Irreversible Inhibition of S. mansoni Legumain				J Med Chem 47: 1889-92 (2004) Article DOI: 10.1021/jm049938j BindingDB Entry DOI: 10.7270/Q2BZ65G0
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	BDBM22126 (aza-peptide Michael acceptor, 5j | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C32H36N6O7/c1-21(35-32(44)45-20-23-10-5-4-6-11-23)30(42)34-22(2)31(43)36-38(19-27(33)39)29(41)17-16-28(40)37(3)18-25-14-9-13-24-12-7-8-15-26(24)25/h4-17,21-22H,18-20H2,1-3H3,(H2,33,39)(H,34,42)(H,35,44)(H,36,43)/t21-,22-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	BDBM22116 (aza-peptide Michael acceptor, 7b | benzyl (2E)-3-{...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C27H31N5O8/c1-18(30-27(38)40-17-21-11-7-4-8-12-21)25(36)29-19(2)26(37)31-32(15-22(28)33)23(34)13-14-24(35)39-16-20-9-5-3-6-10-20/h3-14,18-19H,15-17H2,1-2H3,(H2,28,33)(H,29,36)(H,30,38)(H,31,37)/t18-,19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50143614 ((E)-3-{(S)-N'-[(S)-2-((S)-2-Benzyloxycarbonylamino...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)O\C=C\C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H31N5O9/c1-18(30-26(37)41-17-21-11-7-4-8-12-21)24(35)29-19(2)25(36)31-32(15-22(28)33)27(38)39-14-13-23(34)40-16-20-9-5-3-6-10-20/h3-14,18-19H,15-17H2,1-2H3,(H2,28,33)(H,29,35)(H,30,37)(H,31,36)/b14-13+/t18-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry and the Parker H. Petit Institute for Bioengineering and Bioscience Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated for Irreversible Inhibition of S. mansoni Legumain				J Med Chem 47: 1889-92 (2004) Article DOI: 10.1021/jm049938j BindingDB Entry DOI: 10.7270/Q2BZ65G0
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	BDBM22129 (aza-peptide Michael acceptor, 5m | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C34H38N6O7/c1-24(37-34(46)47-23-28-16-10-5-11-17-28)32(44)36-25(2)33(45)38-40(22-29(35)41)31(43)19-18-30(42)39(20-26-12-6-3-7-13-26)21-27-14-8-4-9-15-27/h3-19,24-25H,20-23H2,1-2H3,(H2,35,41)(H,36,44)(H,37,46)(H,38,45)/t24-,25-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22127 (aza-peptide Michael acceptor, 5k | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)CCc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C29H36N6O7/c1-20(32-29(41)42-19-23-12-8-5-9-13-23)27(39)31-21(2)28(40)33-35(18-24(30)36)26(38)15-14-25(37)34(3)17-16-22-10-6-4-7-11-22/h4-15,20-21H,16-19H2,1-3H3,(H2,30,36)(H,31,39)(H,32,41)(H,33,40)/t20-,21-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase (Trichomonas vaginalis G3)	BDBM22141 (aza-peptide Michael acceptor, 5u | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C28H32N6O7/c1-18(31-28(40)41-17-20-8-4-3-5-9-20)26(38)30-19(2)27(39)32-34(16-23(29)35)25(37)13-12-24(36)33-15-14-21-10-6-7-11-22(21)33/h3-13,18-19H,14-17H2,1-2H3,(H2,29,35)(H,30,38)(H,31,40)(H,32,39)/t18-,19-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	BDBM22125 (aza-peptide Michael acceptor, 5i | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1ccccc1 |r,w:28.28| Show InChI InChI=1S/C28H34N6O7/c1-19(31-28(40)41-18-22-12-8-5-9-13-22)26(38)30-20(2)27(39)32-34(17-23(29)35)25(37)15-14-24(36)33(3)16-21-10-6-4-7-11-21/h4-15,19-20H,16-18H2,1-3H3,(H2,29,35)(H,30,38)(H,31,40)(H,32,39)/t19-,20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50143612 ((S)-N'-[(S)-2-((S)-2-Benzyloxycarbonylamino-propio...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)O\C=C\C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C28H34N6O8/c1-19(31-27(39)42-18-22-12-8-5-9-13-22)25(37)30-20(2)26(38)32-34(17-23(29)35)28(40)41-15-14-24(36)33(3)16-21-10-6-4-7-11-21/h4-15,19-20H,16-18H2,1-3H3,(H2,29,35)(H,30,37)(H,31,39)(H,32,38)/b15-14+/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry and the Parker H. Petit Institute for Bioengineering and Bioscience Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated for Irreversible Inhibition of S. mansoni Legumain				J Med Chem 47: 1889-92 (2004) Article DOI: 10.1021/jm049938j BindingDB Entry DOI: 10.7270/Q2BZ65G0
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	BDBM22135 (aza-peptide Michael acceptor, 5o | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 |r,w:28.28| Show InChI InChI=1S/C34H37FN6O7/c1-23(38-34(47)48-22-27-11-7-4-8-12-27)32(45)37-24(2)33(46)39-41(21-29(36)42)31(44)18-17-30(43)40(19-25-9-5-3-6-10-25)20-26-13-15-28(35)16-14-26/h3-18,23-24H,19-22H2,1-2H3,(H2,36,42)(H,37,45)(H,38,47)(H,39,46)/t23-,24-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	BDBM22124 (aza-peptide Michael acceptor, 5h | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)c1ccccc1 |r,w:28.28| Show InChI InChI=1S/C27H32N6O7/c1-18(30-27(39)40-17-20-10-6-4-7-11-20)25(37)29-19(2)26(38)31-33(16-22(28)34)24(36)15-14-23(35)32(3)21-12-8-5-9-13-21/h4-15,18-19H,16-17H2,1-3H3,(H2,28,34)(H,29,37)(H,30,39)(H,31,38)/t18-,19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	BDBM22138 (aza-peptide Michael acceptor, 5r | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1cccc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C38H40N6O7/c1-26(41-38(50)51-25-29-14-7-4-8-15-29)36(48)40-27(2)37(49)42-44(24-33(39)45)35(47)21-20-34(46)43(22-28-12-5-3-6-13-28)23-31-18-11-17-30-16-9-10-19-32(30)31/h3-21,26-27H,22-25H2,1-2H3,(H2,39,45)(H,40,48)(H,41,50)(H,42,49)/t26-,27-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	BDBM22128 (aza-peptide Michael acceptor, 5l | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)c1ccccc1 |r,w:28.28| Show InChI InChI=1S/C33H36N6O7/c1-23(36-33(45)46-22-26-14-8-4-9-15-26)31(43)35-24(2)32(44)37-39(21-28(34)40)30(42)19-18-29(41)38(27-16-10-5-11-17-27)20-25-12-6-3-7-13-25/h3-19,23-24H,20-22H2,1-2H3,(H2,34,40)(H,35,43)(H,36,45)(H,37,44)/t23-,24-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	BDBM22137 (aza-peptide Michael acceptor, 5q | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccc2ccccc2c1 |r,w:28.28| Show InChI InChI=1S/C38H40N6O7/c1-26(41-38(50)51-25-29-13-7-4-8-14-29)36(48)40-27(2)37(49)42-44(24-33(39)45)35(47)20-19-34(46)43(22-28-11-5-3-6-12-28)23-30-17-18-31-15-9-10-16-32(31)21-30/h3-21,26-27H,22-25H2,1-2H3,(H2,39,45)(H,40,48)(H,41,50)(H,42,49)/t26-,27-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair

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