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Compile Data Set for Download or QSAR

Found 162 hits Enz. Inhib. hit(s) with Target = 'Legumain'   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378274
PNG
(CHEMBL573437)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H37N7O9/c1-4-42-23(37)11-10-22(36)34(16-21(28)35)31-25(39)19(3)29-24(38)18(2)30-26(40)32-12-14-33(15-13-32)27(41)43-17-20-8-6-5-7-9-20/h5-11,18-19H,4,12-17H2,1-3H3,(H2,28,35)(H,29,38)(H,30,40)(H,31,39)/t18-,19+/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378260
PNG
(CHEMBL577594)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCOCC1
Show InChI InChI=1S/C19H30N6O8/c1-4-33-16(28)6-5-15(27)25(11-14(20)26)23-18(30)13(3)21-17(29)12(2)22-19(31)24-7-9-32-10-8-24/h5-6,12-13H,4,7-11H2,1-3H3,(H2,20,26)(H,21,29)(H,22,31)(H,23,30)/t12-,13+/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378275
PNG
(CHEMBL582897)
Show SMILES C[C@@H](NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12
Show InChI InChI=1S/C37H44N8O8/c1-25(40-36(51)43-18-20-44(21-19-43)37(52)53-24-27-10-5-4-6-11-27)34(49)39-26(2)35(50)41-45(23-31(38)46)33(48)17-16-32(47)42(3)22-29-14-9-13-28-12-7-8-15-30(28)29/h4-17,25-26H,18-24H2,1-3H3,(H2,38,46)(H,39,49)(H,40,51)(H,41,50)/t25-,26+/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378276
PNG
(CHEMBL582898)
Show SMILES C[C@@H](NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C47H50N8O8/c1-32(50-46(61)52-24-26-53(27-25-52)47(62)63-31-34-12-4-3-5-13-34)44(59)49-33(2)45(60)51-55(30-41(48)56)43(58)23-22-42(57)54(28-37-18-10-16-35-14-6-8-20-39(35)37)29-38-19-11-17-36-15-7-9-21-40(36)38/h3-23,32-33H,24-31H2,1-2H3,(H2,48,56)(H,49,59)(H,50,61)(H,51,60)/t32-,33+/m1/s1
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n/an/a 0.370n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378280
PNG
(CHEMBL576557)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)[C@@H](C)CC
Show InChI InChI=1S/C25H35N5O8/c1-5-16(3)22(24(35)29-30(14-19(26)31)20(32)12-13-21(33)37-6-2)28-23(34)17(4)27-25(36)38-15-18-10-8-7-9-11-18/h7-13,16-17,22H,5-6,14-15H2,1-4H3,(H2,26,31)(H,27,36)(H,28,34)(H,29,35)/t16-,17+,22-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens)
BDBM50015362
PNG
(CHEMBL3264590)
Show SMILES CCOc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1
Show InChI InChI=1S/C25H28N4O5/c1-2-33-21-6-3-5-19(13-21)18-10-8-17(9-11-18)16-34-25(32)29-12-4-7-22(29)24(31)28-20(15-26)14-23(27)30/h3,5-6,8-11,13,20,22H,2,4,7,12,14,16H2,1H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22128
PNG
(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
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
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n/an/a<1n/an/an/an/a5.522



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...


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More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22125
PNG
(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
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
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n/an/a<1n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22116
PNG
(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
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
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n/an/a<1n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378246
PNG
(CHEMBL584155)
Show SMILES C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H39N7O8/c1-20(34-31(44)36-13-15-45-16-14-36)27(40)33-21(2)28(41)35-38(19-24(32)39)30(43)26-25(46-26)29(42)37(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-12,20-21,25-26H,13-19H2,1-2H3,(H2,32,39)(H,33,40)(H,34,44)(H,35,41)/t20-,21+,25+,26+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22124
PNG
(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
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
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n/an/a 1.80n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378258
PNG
(CHEMBL573249)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C36H41N7O7/c1-24(39-36(50)41-20-9-4-10-21-41)33(47)38-25(2)34(48)40-43(23-30(37)44)32(46)19-18-31(45)42(35(49)27-13-5-3-6-14-27)22-28-16-11-15-26-12-7-8-17-29(26)28/h3,5-8,11-19,24-25H,4,9-10,20-23H2,1-2H3,(H2,37,44)(H,38,47)(H,39,50)(H,40,48)/t24-,25-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378268
PNG
(CHEMBL573433)
Show SMILES C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCNCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C39H44N8O6/c1-26(43-39(53)45-21-19-41-20-22-45)37(51)42-27(2)38(52)44-47(25-34(40)48)36(50)18-17-35(49)46(23-30-13-7-11-28-9-3-5-15-32(28)30)24-31-14-8-12-29-10-4-6-16-33(29)31/h3-18,26-27,41H,19-25H2,1-2H3,(H2,40,48)(H,42,51)(H,43,53)(H,44,52)/t26-,27+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22145
PNG
(Biotinylated Michael acceptor, 12 | 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)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
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
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n/an/a 2.80n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens)
BDBM50015361
PNG
(CHEMBL3264589)
Show SMILES COc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1
Show InChI InChI=1S/C24H26N4O5/c1-32-20-5-2-4-18(12-20)17-9-7-16(8-10-17)15-33-24(31)28-11-3-6-21(28)23(30)27-19(14-25)13-22(26)29/h2,4-5,7-10,12,19,21H,3,6,11,13,15H2,1H3,(H2,26,29)(H,27,30)/t19-,21-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378263
PNG
(CHEMBL573672)
Show SMILES C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCOCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C39H43N7O7/c1-26(42-39(52)44-19-21-53-22-20-44)37(50)41-27(2)38(51)43-46(25-34(40)47)36(49)18-17-35(48)45(23-30-13-7-11-28-9-3-5-15-32(28)30)24-31-14-8-12-29-10-4-6-16-33(29)31/h3-18,26-27H,19-25H2,1-2H3,(H2,40,47)(H,41,50)(H,42,52)(H,43,51)/t26-,27+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378267
PNG
(CHEMBL573161)
Show SMILES C[C@@H](NC(=O)N1CCNCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12
Show InChI InChI=1S/C29H38N8O6/c1-19(33-29(43)36-15-13-31-14-16-36)27(41)32-20(2)28(42)34-37(18-24(30)38)26(40)12-11-25(39)35(3)17-22-9-6-8-21-7-4-5-10-23(21)22/h4-12,19-20,31H,13-18H2,1-3H3,(H2,30,38)(H,32,41)(H,33,43)(H,34,42)/t19-,20+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22139
PNG
(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
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
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n/an/a 4n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364367
PNG
(CHEMBL1950283)
Show SMILES CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(CC1)NC(C)=O
Show InChI InChI=1S/C19H27N5O8/c1-3-31-17(29)14-13(32-14)16(28)24(9-12(20)26)22-15(27)11-5-4-8-23(11)18(30)19(6-7-19)21-10(2)25/h11,13-14H,3-9H2,1-2H3,(H2,20,26)(H,21,25)(H,22,27)/t11-,13?,14?/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22114
PNG
(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
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
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n/an/a 4.5n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22142
PNG
(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
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
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n/an/a 4.5n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens)
BDBM50015348
PNG
(CHEMBL3264578)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C23H23FN4O4/c24-18-9-7-17(8-10-18)16-5-3-15(4-6-16)14-32-23(31)28-11-1-2-20(28)22(30)27-19(13-25)12-21(26)29/h3-10,19-20H,1-2,11-12,14H2,(H2,26,29)(H,27,30)/t19-,20-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378273
PNG
(CHEMBL583115)
Show SMILES C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C44H52N8O8/c1-29(47-42(58)49-22-24-50(25-23-49)43(59)60-44(3,4)5)40(56)46-30(2)41(57)48-52(28-37(45)53)39(55)21-20-38(54)51(26-33-16-10-14-31-12-6-8-18-35(31)33)27-34-17-11-15-32-13-7-9-19-36(32)34/h6-21,29-30H,22-28H2,1-5H3,(H2,45,53)(H,46,56)(H,47,58)(H,48,57)/t29-,30+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22126
PNG
(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
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
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n/an/a 5.5n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22138
PNG
(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
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
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n/an/a 6n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378287
PNG
(CHEMBL584154)
Show SMILES C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C28H35N7O8/c1-16(32-28(41)34-10-12-42-13-11-34)24(37)31-17(2)25(38)33-35(15-21(29)36)27(40)23-22(43-23)26(39)30-14-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,16-17,22-23H,10-15H2,1-2H3,(H2,29,36)(H,30,39)(H,31,37)(H,32,41)(H,33,38)/t16-,17+,22+,23+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364353
PNG
(CHEMBL1950109)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(C)=O
Show InChI InChI=1S/C19H29N5O7/c1-4-13(21-12(3)25)19(30)23-10-6-7-14(23)18(29)22-24(11-15(20)26)16(27)8-9-17(28)31-5-2/h8-9,13-14H,4-7,10-11H2,1-3H3,(H2,20,26)(H,21,25)(H,22,29)/b9-8+/t13-,14-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378270
PNG
(CHEMBL573435)
Show SMILES C[C@@H](NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H41N7O9/c1-19(32-27(42)34-13-15-35(16-14-34)28(43)45-29(3,4)5)25(40)31-20(2)26(41)33-36(17-22(30)37)23(38)11-12-24(39)44-18-21-9-7-6-8-10-21/h6-12,19-20H,13-18H2,1-5H3,(H2,30,37)(H,31,40)(H,32,42)(H,33,41)/t19-,20+/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens)
BDBM50015363
PNG
(CHEMBL3264591)
Show SMILES CC(C)Oc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1
Show InChI InChI=1S/C26H30N4O5/c1-17(2)35-22-6-3-5-20(13-22)19-10-8-18(9-11-19)16-34-26(33)30-12-4-7-23(30)25(32)29-21(15-27)14-24(28)31/h3,5-6,8-11,13,17,21,23H,4,7,12,14,16H2,1-2H3,(H2,28,31)(H,29,32)/t21-,23-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378259
PNG
(CHEMBL572824)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C40H45N7O6/c1-27(43-40(53)45-22-8-3-9-23-45)38(51)42-28(2)39(52)44-47(26-35(41)48)37(50)21-20-36(49)46(24-31-16-10-14-29-12-4-6-18-33(29)31)25-32-17-11-15-30-13-5-7-19-34(30)32/h4-7,10-21,27-28H,3,8-9,22-26H2,1-2H3,(H2,41,48)(H,42,51)(H,43,53)(H,44,52)/t27-,28-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22137
PNG
(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
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
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n/an/a 8n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364366
PNG
(CHEMBL1950282)
Show SMILES CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(C)=O
Show InChI InChI=1S/C19H29N5O8/c1-4-11(21-10(3)25)17(28)23-8-6-7-12(23)16(27)22-24(9-13(20)26)18(29)14-15(32-14)19(30)31-5-2/h11-12,14-15H,4-9H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)/t11-,12-,14?,15?/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM228618
PNG
(BDBM50364365 | US9345789, LI-2)
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n/an/a 8.30n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378286
PNG
(CHEMBL573670)
Show SMILES C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C29H37N7O7/c1-17(33-29(42)35-13-6-3-7-14-35)25(38)32-18(2)26(39)34-36(16-22(30)37)28(41)24-23(43-24)27(40)31-15-20-11-8-10-19-9-4-5-12-21(19)20/h4-5,8-12,17-18,23-24H,3,6-7,13-16H2,1-2H3,(H2,30,37)(H,31,40)(H,32,38)(H,33,42)(H,34,39)/t17-,18+,23+,24+/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378264
PNG
(CHEMBL577371)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCNCC1
Show InChI InChI=1S/C19H31N7O7/c1-4-33-16(29)6-5-15(28)26(11-14(20)27)24-18(31)13(3)22-17(30)12(2)23-19(32)25-9-7-21-8-10-25/h5-6,12-13,21H,4,7-11H2,1-3H3,(H2,20,27)(H,22,30)(H,23,32)(H,24,31)/t12-,13+/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378269
PNG
(CHEMBL574673)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H39N7O9/c1-7-39-19(34)9-8-18(33)31(14-17(25)32)28-21(36)16(3)26-20(35)15(2)27-22(37)29-10-12-30(13-11-29)23(38)40-24(4,5)6/h8-9,15-16H,7,10-14H2,1-6H3,(H2,25,32)(H,26,35)(H,27,37)(H,28,36)/t15-,16+/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364368
PNG
(CHEMBL1950284)
Show SMILES CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC#C)NC(C)=O
Show InChI InChI=1S/C20H27N5O8/c1-4-7-12(22-11(3)26)18(29)24-9-6-8-13(24)17(28)23-25(10-14(21)27)19(30)15-16(33-15)20(31)32-5-2/h1,12-13,15-16H,5-10H2,2-3H3,(H2,21,27)(H,22,26)(H,23,28)/t12-,13-,15?,16?/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens)
BDBM50015353
PNG
(CHEMBL3264583)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(Cl)c1)C#N
Show InChI InChI=1S/C23H23ClN4O4/c24-18-4-1-3-17(11-18)16-8-6-15(7-9-16)14-32-23(31)28-10-2-5-20(28)22(30)27-19(13-25)12-21(26)29/h1,3-4,6-9,11,19-20H,2,5,10,12,14H2,(H2,26,29)(H,27,30)/t19-,20-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens)
BDBM50015365
PNG
(CHEMBL3264593)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(Cl)nc1)C#N
Show InChI InChI=1S/C22H22ClN5O4/c23-19-8-7-16(12-26-19)15-5-3-14(4-6-15)13-32-22(31)28-9-1-2-18(28)21(30)27-17(11-24)10-20(25)29/h3-8,12,17-18H,1-2,9-10,13H2,(H2,25,29)(H,27,30)/t17-,18-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364356
PNG
(CHEMBL1950112)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(CC1)NC(C)=O
Show InChI InChI=1S/C19H27N5O7/c1-3-31-16(28)7-6-15(27)24(11-14(20)26)22-17(29)13-5-4-10-23(13)18(30)19(8-9-19)21-12(2)25/h6-7,13H,3-5,8-11H2,1-2H3,(H2,20,26)(H,21,25)(H,22,29)/b7-6+/t13-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM36332
PNG
(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
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
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n/an/a 9.30n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22120
PNG
(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
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
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n/an/a 10n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378247
PNG
(CHEMBL584157)
Show SMILES C[C@@H](NC(=O)N1CCNCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H40N8O7/c1-20(35-31(45)37-15-13-33-14-16-37)27(41)34-21(2)28(42)36-39(19-24(32)40)30(44)26-25(46-26)29(43)38(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-12,20-21,25-26,33H,13-19H2,1-2H3,(H2,32,40)(H,34,41)(H,35,45)(H,36,42)/t20-,21+,25+,26+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens)
BDBM50015351
PNG
(CHEMBL3264581)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)c(F)c1)C#N
Show InChI InChI=1S/C23H22F2N4O4/c24-18-8-7-16(10-19(18)25)15-5-3-14(4-6-15)13-33-23(32)29-9-1-2-20(29)22(31)28-17(12-26)11-21(27)30/h3-8,10,17,20H,1-2,9,11,13H2,(H2,27,30)(H,28,31)/t17-,20-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate


Citation and Details
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens)
BDBM228617
PNG
(US9345789, LI-0)
MMDB

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n/an/a 11.5n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent




US Patent US9345789 (2016)

More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM36332
PNG
(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
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
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n/an/a 11.5n/an/an/an/a5.825



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378285
PNG
(CHEMBL573669)
Show SMILES C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C32H41N7O7/c1-21(35-32(45)37-16-10-5-11-17-37)28(41)34-22(2)29(42)36-39(20-25(33)40)31(44)27-26(46-27)30(43)38(18-23-12-6-3-7-13-23)19-24-14-8-4-9-15-24/h3-4,6-9,12-15,21-22,26-27H,5,10-11,16-20H2,1-2H3,(H2,33,40)(H,34,41)(H,35,45)(H,36,42)/t21-,22+,26+,27+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22130
PNG
(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
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
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n/an/a 12n/an/an/an/a5.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378279
PNG
(CHEMBL582899)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C31H38N6O7/c1-20(2)28(34-29(41)21(3)33-31(43)44-19-22-10-5-4-6-11-22)30(42)35-37(18-25(32)38)27(40)16-15-26(39)36-17-9-13-23-12-7-8-14-24(23)36/h4-8,10-12,14-16,20-21,28H,9,13,17-19H2,1-3H3,(H2,32,38)(H,33,43)(H,34,41)(H,35,42)/t21-,28+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378265
PNG
(CHEMBL568037)
Show SMILES C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCNCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H33N7O7/c1-16(28-24(37)30-12-10-26-11-13-30)22(35)27-17(2)23(36)29-31(14-19(25)32)20(33)8-9-21(34)38-15-18-6-4-3-5-7-18/h3-9,16-17,26H,10-15H2,1-2H3,(H2,25,32)(H,27,35)(H,28,37)(H,29,36)/t16-,17+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


Citation and Details
More data for this
Ligand-Target Pair
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