Compile Data Set for Download or QSAR

Found 25 hits of ph data with Target = 'Legumain'   

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
Legumain (Homo sapiens (Human))	BDBM228617 (US9345789, LI-0) Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C21H26N2O7/c1-12-6-4-7-13(2)19(12)21(29)30-11-17(25)15(10-18(26)27)22-20(28)16-8-5-9-23(16)14(3)24/h4,6-7,15-16H,5,8-11H2,1-3H3,(H,22,28)(H,26,27)/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.5	n/a	n/a	n/a	n/a	5.8	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...				US Patent US9345789 (2016) BindingDB Entry DOI: 10.7270/Q2610Z63
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM228617 (US9345789, LI-0) Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C21H26N2O7/c1-12-6-4-7-13(2)19(12)21(29)30-11-17(25)15(10-18(26)27)22-20(28)16-8-5-9-23(16)14(3)24/h4,6-7,15-16H,5,8-11H2,1-3H3,(H,22,28)(H,26,27)/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	704	n/a	n/a	n/a	n/a	5.8	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...				US Patent US9345789 (2016) BindingDB Entry DOI: 10.7270/Q2610Z63
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM36333 (LI-0 | Legumain Inhibitor -0) Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCOC(=O)c1c(C)cccc1C)CC(O)=O |r| Show InChI InChI=1S/C21H28N2O6/c1-13-6-4-7-14(2)19(13)21(28)29-11-9-16(12-18(25)26)22-20(27)17-8-5-10-23(17)15(3)24/h4,6-7,16-17H,5,8-12H2,1-3H3,(H,22,27)(H,25,26)/t16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	704	n/a	n/a	n/a	n/a	5.8	25
Stanford University					Assay Description IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).				ACS Chem Biol 5: 233-43 (2010) Article DOI: 10.1021/cb900232a BindingDB Entry DOI: 10.7270/Q2Z31X0W
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM36332 (LI-1 | Legumain Inhibitor -1) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r| Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	5.8	25
Stanford University					Assay Description IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).				ACS Chem Biol 5: 233-43 (2010) Article DOI: 10.1021/cb900232a BindingDB Entry DOI: 10.7270/Q2Z31X0W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM228617 (US9345789, LI-0) Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C21H26N2O7/c1-12-6-4-7-13(2)19(12)21(29)30-11-17(25)15(10-18(26)27)22-20(28)16-8-5-9-23(16)14(3)24/h4,6-7,15-16H,5,8-11H2,1-3H3,(H,22,28)(H,26,27)/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	145	n/a	n/a	n/a	n/a	5.8	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...				US Patent US9345789 (2016) BindingDB Entry DOI: 10.7270/Q2610Z63
					More data for this Ligand-Target Pair
Legumain (Schistosoma mansoni)	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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)	BDBM22122 (aza-peptide Michael acceptor, 5f | 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)NCc1ccc(F)cc1 |r,w:28.28| Show InChI InChI=1S/C27H31FN6O7/c1-17(32-27(40)41-16-20-6-4-3-5-7-20)25(38)31-18(2)26(39)33-34(15-22(29)35)24(37)13-12-23(36)30-14-19-8-10-21(28)11-9-19/h3-13,17-18H,14-16H2,1-2H3,(H2,29,35)(H,30,36)(H,31,38)(H,32,40)(H,33,39)/t17-,18-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	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)	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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)	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)	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 (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)	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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)	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)	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
Legumain (Schistosoma mansoni)	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	90	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)	BDBM22131 (aza-peptide Michael acceptor, 7c | 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)c1ccccc1 |r,w:28.28| Show InChI InChI=1S/C26H29N5O7/c1-17(29-26(37)38-16-19-9-5-3-6-10-19)24(35)28-18(2)25(36)30-31(15-22(27)33)23(34)14-13-21(32)20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H2,27,33)(H,28,35)(H,29,37)(H,30,36)/t17-,18-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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)	BDBM22132 (aza-peptide Michael acceptor, 7d | benzyl N-[(1S)-...) Show SMILES CC=CC=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:4.4,1.0| Show InChI InChI=1S/C22H29N5O6/c1-4-5-7-12-19(29)27(13-18(23)28)26-21(31)16(3)24-20(30)15(2)25-22(32)33-14-17-10-8-6-9-11-17/h4-12,15-16H,13-14H2,1-3H3,(H2,23,28)(H,24,30)(H,25,32)(H,26,31)/t15-,16-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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)	BDBM22133 (aza-peptide Michael acceptor, 7e | 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=Cc1ccco1 |r,w:28.28| Show InChI InChI=1S/C23H27N5O7/c1-15(26-23(33)35-14-17-7-4-3-5-8-17)21(31)25-16(2)22(32)27-28(13-19(24)29)20(30)11-10-18-9-6-12-34-18/h3-12,15-16H,13-14H2,1-2H3,(H2,24,29)(H,25,31)(H,26,33)(H,27,32)/t15-,16-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	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)	BDBM22134 (aza-peptide Michael acceptor, 7f | 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=Cc1cccnc1 |r,w:28.28| Show InChI InChI=1S/C24H28N6O6/c1-16(28-24(35)36-15-19-7-4-3-5-8-19)22(33)27-17(2)23(34)29-30(14-20(25)31)21(32)11-10-18-9-6-12-26-13-18/h3-13,16-17H,14-15H2,1-2H3,(H2,25,31)(H,27,33)(H,28,35)(H,29,34)/t16-,17-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	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)	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	700	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)	BDBM22119 (aza-peptide Michael acceptor, 5c | 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)N1CCCCC1 |r,w:28.28| Show InChI InChI=1S/C25H34N6O7/c1-17(28-25(37)38-16-19-9-5-3-6-10-19)23(35)27-18(2)24(36)29-31(15-20(26)32)22(34)12-11-21(33)30-13-7-4-8-14-30/h3,5-6,9-12,17-18H,4,7-8,13-16H2,1-2H3,(H2,26,32)(H,27,35)(H,28,37)(H,29,36)/t17-,18-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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)	BDBM22118 (aza-peptide Michael acceptor, 5b | benzyl N-[(1S)-...) Show SMILES CCCCN(CCCC)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:12.12| Show InChI InChI=1S/C28H42N6O7/c1-5-7-16-33(17-8-6-2)24(36)14-15-25(37)34(18-23(29)35)32-27(39)21(4)30-26(38)20(3)31-28(40)41-19-22-12-10-9-11-13-22/h9-15,20-21H,5-8,16-19H2,1-4H3,(H2,29,35)(H,30,38)(H,31,40)(H,32,39)/t20-,21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	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)	BDBM22117 (aza-peptide Michael acceptor, 5a | benzyl N-[(1S)-...) Show SMILES CCN(CC)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:8.8| Show InChI InChI=1S/C24H34N6O7/c1-5-29(6-2)20(32)12-13-21(33)30(14-19(25)31)28-23(35)17(4)26-22(34)16(3)27-24(36)37-15-18-10-8-7-9-11-18/h7-13,16-17H,5-6,14-15H2,1-4H3,(H2,25,31)(H,26,34)(H,27,36)(H,28,35)/t16-,17-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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)	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 (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