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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'burden' and Initial = 'r'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Legumain


(Homo sapiens (Human))		BDBM50510337
PNG
(CHEMBL4545652)
Show SMILES Cn1ncc2cccc(-c3ccc(cc3)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N)c12 |r|
Show InChI InChI=1S/C23H25N5O4S/c1-23(2,22(30)27-17(12-24)11-20(25)29)14-33(31,32)18-9-7-15(8-10-18)19-6-4-5-16-13-26-28(3)21(16)19/h4-10,13,17H,11,14H2,1-3H3,(H2,25,29)(H,27,30)/t17-/m0/s1
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n/an/a 0.120n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510318
PNG
(CHEMBL4438891)
Show SMILES Cn1cc2cc(ccc2n1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C23H25N5O4S/c1-23(2,22(30)26-18(12-24)11-21(25)29)14-33(31,32)19-7-4-15(5-8-19)16-6-9-20-17(10-16)13-28(3)27-20/h4-10,13,18H,11,14H2,1-3H3,(H2,25,29)(H,26,30)/t18-/m0/s1
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n/an/a 0.260n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510331
PNG
(CHEMBL4556228)
Show SMILES CC(C)(CS(=O)(=O)c1ccccc1-c1ccc2ncsc2c1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H22N4O4S2/c1-22(2,21(28)26-15(11-23)10-20(24)27)12-32(29,30)19-6-4-3-5-16(19)14-7-8-17-18(9-14)31-13-25-17/h3-9,13,15H,10,12H2,1-2H3,(H2,24,27)(H,26,28)/t15-/m0/s1
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n/an/a 0.470n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510316
PNG
(CHEMBL4549828)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H22FN3O4S/c1-21(2,20(27)25-17(12-23)11-19(24)26)13-30(28,29)18-8-6-14(7-9-18)15-4-3-5-16(22)10-15/h3-10,17H,11,13H2,1-2H3,(H2,24,26)(H,25,27)/t17-/m0/s1
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n/an/a 1.30n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510339
PNG
(CHEMBL4547118)
Show SMILES CC(C)(C)c1ccc(cn1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C24H30N4O4S/c1-23(2,3)20-11-8-17(14-27-20)16-6-9-19(10-7-16)33(31,32)15-24(4,5)22(30)28-18(13-25)12-21(26)29/h6-11,14,18H,12,15H2,1-5H3,(H2,26,29)(H,28,30)/t18-/m0/s1
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Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510329
PNG
(CHEMBL4474978)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C23H25N5O4S/c1-23(2,22(30)27-18(12-24)11-21(25)29)14-33(31,32)19-7-4-15(5-8-19)16-6-9-20-17(10-16)13-26-28(20)3/h4-10,13,18H,11,14H2,1-3H3,(H2,25,29)(H,27,30)/t18-/m0/s1
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n/an/a 3.60n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499753
PNG
(CHEMBL3741471)
Show SMILES CC(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C24H28N4O4S/c1-16(2)17-5-7-18(8-6-17)19-9-11-21(12-10-19)33(31,32)28-13-3-4-22(28)24(30)27-20(15-25)14-23(26)29/h5-12,16,20,22H,3-4,13-14H2,1-2H3,(H2,26,29)(H,27,30)/t20-,22-/m0/s1
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Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510333
PNG
(CHEMBL4472825)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H22FN3O4S/c1-21(2,20(27)25-17(12-23)11-19(24)26)13-30(28,29)18-9-5-15(6-10-18)14-3-7-16(22)8-4-14/h3-10,17H,11,13H2,1-2H3,(H2,24,26)(H,25,27)/t17-/m0/s1
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n/an/a 5.5n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499738
PNG
(CHEMBL3740153)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H24N4O5S/c1-31-18-8-4-15(5-9-18)16-6-10-19(11-7-16)32(29,30)26-12-2-3-20(26)22(28)25-17(14-23)13-21(24)27/h4-11,17,20H,2-3,12-13H2,1H3,(H2,24,27)(H,25,28)/t17-,20-/m0/s1
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n/an/a 6n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499733
PNG
(CHEMBL3740378)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(c(Cl)c1)-c1ccc(Cl)cc1)C#N |r|
Show InChI InChI=1S/C21H20Cl2N4O4S/c22-14-5-3-13(4-6-14)17-8-7-16(11-18(17)23)32(30,31)27-9-1-2-19(27)21(29)26-15(12-24)10-20(25)28/h3-8,11,15,19H,1-2,9-10H2,(H2,25,28)(H,26,29)/t15-,19-/m0/s1
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Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510320
PNG
(CHEMBL4452627)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H22ClN3O4S/c1-21(2,20(27)25-17(12-23)11-19(24)26)13-30(28,29)18-9-5-15(6-10-18)14-3-7-16(22)8-4-14/h3-10,17H,11,13H2,1-2H3,(H2,24,26)(H,25,27)/t17-/m0/s1
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n/an/a 7.10n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510330
PNG
(CHEMBL4469392)
Show SMILES Cn1ccc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C24H26N4O4S/c1-24(2,23(30)27-19(14-25)13-22(26)29)15-33(31,32)20-7-4-16(5-8-20)17-6-9-21-18(12-17)10-11-28(21)3/h4-12,19H,13,15H2,1-3H3,(H2,26,29)(H,27,30)/t19-/m0/s1
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n/an/a 9.80n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510327
PNG
(CHEMBL4516598)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cncc(c1)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H21F3N4O4S/c1-20(2,19(30)28-16(9-25)8-18(26)29)12-33(31,32)17-5-3-13(4-6-17)14-7-15(11-27-10-14)21(22,23)24/h3-7,10-11,16H,8,12H2,1-2H3,(H2,26,29)(H,28,30)/t16-/m0/s1
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n/an/a 10n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499736
PNG
(CHEMBL3740601)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
Show InChI InChI=1S/C21H22N4O4S/c22-14-17(13-20(23)26)24-21(27)19-7-4-12-25(19)30(28,29)18-10-8-16(9-11-18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19H,4,7,12-13H2,(H2,23,26)(H,24,27)/t17-,19-/m0/s1
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n/an/a 12n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510326
PNG
(CHEMBL4517035)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)nc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C20H21ClN4O4S/c1-20(2,19(27)25-15(10-22)9-18(23)26)12-30(28,29)16-6-3-13(4-7-16)14-5-8-17(21)24-11-14/h3-8,11,15H,9,12H2,1-2H3,(H2,23,26)(H,25,27)/t15-/m0/s1
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Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510340
PNG
(CHEMBL4462167)
Show SMILES Cc1cncc(c1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H24N4O4S/c1-14-8-16(12-24-11-14)15-4-6-18(7-5-15)30(28,29)13-21(2,3)20(27)25-17(10-22)9-19(23)26/h4-8,11-12,17H,9,13H2,1-3H3,(H2,23,26)(H,25,27)/t17-/m0/s1
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Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510336
PNG
(CHEMBL4473369)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cncc(Cl)c1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C20H21ClN4O4S/c1-20(2,19(27)25-16(9-22)8-18(23)26)12-30(28,29)17-5-3-13(4-6-17)14-7-15(21)11-24-10-14/h3-7,10-11,16H,8,12H2,1-2H3,(H2,23,26)(H,25,27)/t16-/m0/s1
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Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510342
PNG
(CHEMBL4446264)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H21F3N4O4S/c1-20(2,19(30)28-15(10-25)9-18(26)29)12-33(31,32)16-6-3-13(4-7-16)14-5-8-17(27-11-14)21(22,23)24/h3-8,11,15H,9,12H2,1-2H3,(H2,26,29)(H,28,30)/t15-/m0/s1
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Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499745
PNG
(CHEMBL3741267)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1F)-c1ccc(F)cc1)C#N |r|
Show InChI InChI=1S/C21H20F2N4O4S/c22-15-6-3-13(4-7-15)14-5-8-19(17(23)10-14)32(30,31)27-9-1-2-18(27)21(29)26-16(12-24)11-20(25)28/h3-8,10,16,18H,1-2,9,11H2,(H2,25,28)(H,26,29)/t16-,18-/m0/s1
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n/an/a 23n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510328
PNG
(CHEMBL4549915)
Show SMILES Cc1ccc(cn1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H24N4O4S/c1-14-4-5-16(12-24-14)15-6-8-18(9-7-15)30(28,29)13-21(2,3)20(27)25-17(11-22)10-19(23)26/h4-9,12,17H,10,13H2,1-3H3,(H2,23,26)(H,25,27)/t17-/m0/s1
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n/an/a 26n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499754
PNG
(CHEMBL3740253)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H24N4O4S/c1-15-4-6-16(7-5-15)17-8-10-19(11-9-17)31(29,30)26-12-2-3-20(26)22(28)25-18(14-23)13-21(24)27/h4-11,18,20H,2-3,12-13H2,1H3,(H2,24,27)(H,25,28)/t18-,20-/m0/s1
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n/an/a 32n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510321
PNG
(CHEMBL4520269)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cccc(F)c1F)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H21F2N3O4S/c1-21(2,20(28)26-14(11-24)10-18(25)27)12-31(29,30)15-8-6-13(7-9-15)16-4-3-5-17(22)19(16)23/h3-9,14H,10,12H2,1-2H3,(H2,25,27)(H,26,28)/t14-/m0/s1
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n/an/a 33n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499730
PNG
(CHEMBL3740368)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C22H21N5O4S/c23-13-15-3-5-16(6-4-15)17-7-9-19(10-8-17)32(30,31)27-11-1-2-20(27)22(29)26-18(14-24)12-21(25)28/h3-10,18,20H,1-2,11-12H2,(H2,25,28)(H,26,29)/t18-,20-/m0/s1
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n/an/a 33n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499741
PNG
(CHEMBL3739994)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C#N |r|
Show InChI InChI=1S/C21H21FN4O4S/c22-16-7-3-14(4-8-16)15-5-9-18(10-6-15)31(29,30)26-11-1-2-19(26)21(28)25-17(13-23)12-20(24)27/h3-10,17,19H,1-2,11-12H2,(H2,24,27)(H,25,28)/t17-,19-/m0/s1
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n/an/a 33n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510319
PNG
(CHEMBL4437001)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccccc1F)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H22FN3O4S/c1-21(2,20(27)25-15(12-23)11-19(24)26)13-30(28,29)16-9-7-14(8-10-16)17-5-3-4-6-18(17)22/h3-10,15H,11,13H2,1-2H3,(H2,24,26)(H,25,27)/t15-/m0/s1
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n/an/a 34n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499746
PNG
(CHEMBL3739537)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1Cl)C#N |r|
Show InChI InChI=1S/C21H21ClN4O4S/c22-18-5-2-1-4-17(18)14-7-9-16(10-8-14)31(29,30)26-11-3-6-19(26)21(28)25-15(13-23)12-20(24)27/h1-2,4-5,7-10,15,19H,3,6,11-12H2,(H2,24,27)(H,25,28)/t15-,19-/m0/s1
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n/an/a 35n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499734
PNG
(CHEMBL3741072)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C#N |r|
Show InChI InChI=1S/C21H21ClN4O4S/c22-16-7-3-14(4-8-16)15-5-9-18(10-6-15)31(29,30)26-11-1-2-19(26)21(28)25-17(13-23)12-20(24)27/h3-10,17,19H,1-2,11-12H2,(H2,24,27)(H,25,28)/t17-,19-/m0/s1
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n/an/a 45n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499735
PNG
(CHEMBL3740206)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1cccc(F)c1)C#N |r|
Show InChI InChI=1S/C21H21FN4O4S/c22-16-4-1-3-15(11-16)14-6-8-18(9-7-14)31(29,30)26-10-2-5-19(26)21(28)25-17(13-23)12-20(24)27/h1,3-4,6-9,11,17,19H,2,5,10,12H2,(H2,24,27)(H,25,28)/t17-,19-/m0/s1
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n/an/a 47n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499750
PNG
(CHEMBL3741002)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc2OCOc2c1)C#N |r|
Show InChI InChI=1S/C22H22N4O6S/c23-12-16(11-21(24)27)25-22(28)18-2-1-9-26(18)33(29,30)17-6-3-14(4-7-17)15-5-8-19-20(10-15)32-13-31-19/h3-8,10,16,18H,1-2,9,11,13H2,(H2,24,27)(H,25,28)/t16-,18-/m0/s1
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n/an/a 49n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510338
PNG
(CHEMBL4442344)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H22F3N3O4S/c1-21(2,20(30)28-15(12-26)11-19(27)29)13-33(31,32)16-9-7-14(8-10-16)17-5-3-4-6-18(17)22(23,24)25/h3-10,15H,11,13H2,1-2H3,(H2,27,29)(H,28,30)/t15-/m0/s1
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n/an/a 59n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499740
PNG
(CHEMBL3740166)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(c(F)c1)-c1ccc(F)cc1)C#N |r|
Show InChI InChI=1S/C21H20F2N4O4S/c22-14-5-3-13(4-6-14)17-8-7-16(11-18(17)23)32(30,31)27-9-1-2-19(27)21(29)26-15(12-24)10-20(25)28/h3-8,11,15,19H,1-2,9-10H2,(H2,25,28)(H,26,29)/t15-,19-/m0/s1
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n/an/a 67n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499751
PNG
(CHEMBL3742051)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C23H26N4O4S/c1-2-16-5-7-17(8-6-16)18-9-11-20(12-10-18)32(30,31)27-13-3-4-21(27)23(29)26-19(15-24)14-22(25)28/h5-12,19,21H,2-4,13-14H2,1H3,(H2,25,28)(H,26,29)/t19-,21-/m0/s1
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n/an/a 71n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499737
PNG
(CHEMBL3741594)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C25H30N4O4S/c1-25(2,3)19-10-6-17(7-11-19)18-8-12-21(13-9-18)34(32,33)29-14-4-5-22(29)24(31)28-20(16-26)15-23(27)30/h6-13,20,22H,4-5,14-15H2,1-3H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1
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n/an/a 71n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499727
PNG
(CHEMBL3740719)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C#N |r|
Show InChI InChI=1S/C15H17ClN4O4S/c16-10-3-5-12(6-4-10)25(23,24)20-7-1-2-13(20)15(22)19-11(9-17)8-14(18)21/h3-6,11,13H,1-2,7-8H2,(H2,18,21)(H,19,22)/t11-,13-/m0/s1
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n/an/a 73n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499732
PNG
(CHEMBL3742365)
Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C23H26N4O5S/c1-2-32-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33(30,31)27-13-3-4-21(27)23(29)26-18(15-24)14-22(25)28/h5-12,18,21H,2-4,13-14H2,1H3,(H2,25,28)(H,26,29)/t18-,21-/m0/s1
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Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510325
PNG
(CHEMBL4538455)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cncc(F)c1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C20H21FN4O4S/c1-20(2,19(27)25-16(9-22)8-18(23)26)12-30(28,29)17-5-3-13(4-6-17)14-7-15(21)11-24-10-14/h3-7,10-11,16H,8,12H2,1-2H3,(H2,23,26)(H,25,27)/t16-/m0/s1
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n/an/a 78n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510334
PNG
(CHEMBL4438021)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1F)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H21F2N3O4S/c1-21(2,20(28)26-15(11-24)10-19(25)27)12-31(29,30)16-6-3-13(4-7-16)17-8-5-14(22)9-18(17)23/h3-9,15H,10,12H2,1-2H3,(H2,25,27)(H,26,28)/t15-/m0/s1
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n/an/a 82n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499755
PNG
(CHEMBL3741666)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F)C#N |r|
Show InChI InChI=1S/C22H21F3N4O4S/c23-22(24,25)16-4-1-3-15(11-16)14-6-8-18(9-7-14)34(32,33)29-10-2-5-19(29)21(31)28-17(13-26)12-20(27)30/h1,3-4,6-9,11,17,19H,2,5,10,12H2,(H2,27,30)(H,28,31)/t17-,19-/m0/s1
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n/an/a 93n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510335
PNG
(CHEMBL4588754)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C20H21FN4O4S/c1-20(2,19(27)25-15(10-22)9-18(23)26)12-30(28,29)16-6-3-13(4-7-16)14-5-8-17(21)24-11-14/h3-8,11,15H,9,12H2,1-2H3,(H2,23,26)(H,25,27)/t15-/m0/s1
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n/an/a 96n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510322
PNG
(CHEMBL4571494)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cc(F)cc(F)c1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H21F2N3O4S/c1-21(2,20(28)26-17(11-24)10-19(25)27)12-31(29,30)18-5-3-13(4-6-18)14-7-15(22)9-16(23)8-14/h3-9,17H,10,12H2,1-2H3,(H2,25,27)(H,26,28)/t17-/m0/s1
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n/an/a 110n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499752
PNG
(CHEMBL3740086)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C#N |r|
Show InChI InChI=1S/C22H21F3N4O4S/c23-22(24,25)16-7-3-14(4-8-16)15-5-9-18(10-6-15)34(32,33)29-11-1-2-19(29)21(31)28-17(13-26)12-20(27)30/h3-10,17,19H,1-2,11-12H2,(H2,27,30)(H,28,31)/t17-,19-/m0/s1
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n/an/a 121n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510324
PNG
(CHEMBL4527246)
Show SMILES CC(C)Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C25H31N3O4S/c1-17(2)13-18-5-7-19(8-6-18)20-9-11-22(12-10-20)33(31,32)16-25(3,4)24(30)28-21(15-26)14-23(27)29/h5-12,17,21H,13-14,16H2,1-4H3,(H2,27,29)(H,28,30)/t21-/m0/s1
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n/an/a 160n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499742
PNG
(CHEMBL3739853)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1Cl)-c1ccc(Cl)cc1)C#N |r|
Show InChI InChI=1S/C21H20Cl2N4O4S/c22-15-6-3-13(4-7-15)14-5-8-19(17(23)10-14)32(30,31)27-9-1-2-18(27)21(29)26-16(12-24)11-20(25)28/h3-8,10,16,18H,1-2,9,11H2,(H2,25,28)(H,26,29)/t16-,18-/m0/s1
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n/an/a 169n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499729
PNG
(CHEMBL3739555)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)C#N |r|
Show InChI InChI=1S/C15H17FN4O4S/c16-10-3-5-12(6-4-10)25(23,24)20-7-1-2-13(20)15(22)19-11(9-17)8-14(18)21/h3-6,11,13H,1-2,7-8H2,(H2,18,21)(H,19,22)/t11-,13-/m0/s1
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n/an/a 269n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510323
PNG
(CHEMBL4467572)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H21Cl2N3O4S/c1-21(2,20(28)26-15(11-24)10-19(25)27)12-31(29,30)16-6-3-13(4-7-16)17-8-5-14(22)9-18(17)23/h3-9,15H,10,12H2,1-2H3,(H2,25,27)(H,26,28)/t15-/m0/s1
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n/an/a 280n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499749
PNG
(CHEMBL3741126)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)C#N |r|
Show InChI InChI=1S/C15H17BrN4O4S/c16-10-3-5-12(6-4-10)25(23,24)20-7-1-2-13(20)15(22)19-11(9-17)8-14(18)21/h3-6,11,13H,1-2,7-8H2,(H2,18,21)(H,19,22)/t11-,13-/m0/s1
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n/an/a 282n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510341
PNG
(CHEMBL4519491)
Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H22F3N3O4S/c1-21(2,20(30)28-17(12-26)11-19(27)29)13-33(31,32)18-9-5-15(6-10-18)14-3-7-16(8-4-14)22(23,24)25/h3-10,17H,11,13H2,1-2H3,(H2,27,29)(H,28,30)/t17-/m0/s1
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n/an/a 290n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499747
PNG
(CHEMBL3739710)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)C(F)(F)F)C#N |r|
Show InChI InChI=1S/C16H17F3N4O4S/c17-16(18,19)10-3-5-12(6-4-10)28(26,27)23-7-1-2-13(23)15(25)22-11(9-20)8-14(21)24/h3-6,11,13H,1-2,7-8H2,(H2,21,24)(H,22,25)/t11-,13-/m0/s1
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n/an/a 332n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50499748
PNG
(CHEMBL3742218)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)C#N |r|
Show InChI InChI=1S/C15H16Cl2N4O4S/c16-9-3-4-13(11(17)6-9)26(24,25)21-5-1-2-12(21)15(23)20-10(8-18)7-14(19)22/h3-4,6,10,12H,1-2,5,7H2,(H2,19,22)(H,20,23)/t10-,12-/m0/s1
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n/an/a 593n/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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis

Bioorg Med Chem Lett 25: 5642-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.001
BindingDB Entry DOI: 10.7270/Q2280BM6
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50510317
PNG
(CHEMBL4555719)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C25H31N3O4S/c1-24(2,3)19-10-6-17(7-11-19)18-8-12-21(13-9-18)33(31,32)16-25(4,5)23(30)28-20(15-26)14-22(27)29/h6-13,20H,14,16H2,1-5H3,(H2,27,29)(H,28,30)/t20-/m0/s1
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n/an/a 870n/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 as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...

Bioorg Med Chem Lett 29: 1546-1548 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.019
BindingDB Entry DOI: 10.7270/Q2CV4N2X
More data for this
Ligand-Target Pair
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