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Compile Data Set for Download or QSAR

Found 162 hits of ic50 data for polymerid = 241,4362   
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))		BDBM50015362
PNG
(CHEMBL3264590)
Show SMILES CCOc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
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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n/an/a 1.40n/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))		BDBM50015361
PNG
(CHEMBL3264589)
Show SMILES COc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
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


(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 |r|
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

Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50015348
PNG
(CHEMBL3264578)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)cc1)C#N |r|
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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
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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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-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))		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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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))		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


(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 |r|
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

Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
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))		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 |r|
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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
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 |r|
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

Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)		BDBM228618
PNG
(BDBM50364365 | US9345789, LI-2)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r|
Show InChI InChI=1S/C15H22N4O6/c1-3-25-14(23)7-6-13(22)19(9-12(16)21)17-15(24)11-5-4-8-18(11)10(2)20/h6-7,11H,3-5,8-9H2,1-2H3,(H2,16,21)(H,17,24)/b7-6+/t11-/m0/s1
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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

Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
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 |r|
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

Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50015353
PNG
(CHEMBL3264583)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(Cl)c1)C#N |r|
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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50015365
PNG
(CHEMBL3264593)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(Cl)nc1)C#N |r|
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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
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 |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
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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

Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
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 |r|
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

Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
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))		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 |r|
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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
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 |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
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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).

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
PNG
(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
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US Patent
n/an/a 11.5n/an/an/an/a5.8n/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))		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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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-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))		BDBM50015359
PNG
(CHEMBL3264587)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C#N |r|
Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)18-9-7-17(8-10-18)16-5-3-15(4-6-16)14-35-23(34)31-11-1-2-20(31)22(33)30-19(13-28)12-21(29)32/h3-10,19-20H,1-2,11-12,14H2,(H2,29,32)(H,30,33)/t19-,20-/m0/s1
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n/an/a 15n/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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
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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n/an/a 15n/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))		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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n/an/a 15n/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


(Mus musculus)		BDBM50364358
PNG
(CHEMBL1950273)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC#C)NC(C)=O |r|
Show InChI InChI=1S/C20H27N5O7/c1-4-7-14(22-13(3)26)20(31)24-11-6-8-15(24)19(30)23-25(12-16(21)27)17(28)9-10-18(29)32-5-2/h1,9-10,14-15H,5-8,11-12H2,2-3H3,(H2,21,27)(H,22,26)(H,23,30)/b10-9+/t14-,15-/m0/s1
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n/an/a 17n/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

Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
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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n/an/a 18n/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))		BDBM50015339
PNG
(CHEMBL3264272)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccccc1)C#N |r|
Show InChI InChI=1S/C23H24N4O4/c24-14-19(13-21(25)28)26-22(29)20-7-4-12-27(20)23(30)31-15-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20H,4,7,12-13,15H2,(H2,25,28)(H,26,29)/t19-,20-/m0/s1
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n/an/a 18n/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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
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))		BDBM50015341
PNG
(CHEMBL3264274)
Show SMILES Cc1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
Show InChI InChI=1S/C24H26N4O4/c1-16-4-8-18(9-5-16)19-10-6-17(7-11-19)15-32-24(31)28-12-2-3-21(28)23(30)27-20(14-25)13-22(26)29/h4-11,20-21H,2-3,12-13,15H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1
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n/an/a 28n/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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50015350
PNG
(CHEMBL3264580)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(F)c1F)C#N |r|
Show InChI InChI=1S/C23H22F2N4O4/c24-18-4-1-3-17(21(18)25)15-8-6-14(7-9-15)13-33-23(32)29-10-2-5-19(29)22(31)28-16(12-26)11-20(27)30/h1,3-4,6-9,16,19H,2,5,10-11,13H2,(H2,27,30)(H,28,31)/t16-,19-/m0/s1
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n/an/a 29n/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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50143613
PNG
((E)-3-{(S)-N'-[(S)-2-((S)-2-Benzyloxycarbonylamino...)
Show SMILES CCOC(=O)\C=C\OC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H29N5O9/c1-4-34-18(29)10-11-35-22(33)27(12-17(23)28)26-20(31)15(3)24-19(30)14(2)25-21(32)36-13-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H2,23,28)(H,24,30)(H,25,32)(H,26,31)/b11-10+/t14-,15-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



School of Chemistry and Biochemistry and the Parker H. Petit Institute for Bioengineering and Bioscience

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated for Irreversible Inhibition of S. mansoni Legumain

J Med Chem 47: 1889-92 (2004)


Article DOI: 10.1021/jm049938j
BindingDB Entry DOI: 10.7270/Q2BZ65G0
More data for this
Ligand-Target Pair
Legumain


(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))		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))		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))		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))		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))		BDBM50143614
PNG
((E)-3-{(S)-N'-[(S)-2-((S)-2-Benzyloxycarbonylamino...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)O\C=C\C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H31N5O9/c1-18(30-26(37)41-17-21-11-7-4-8-12-21)24(35)29-19(2)25(36)31-32(15-22(28)33)27(38)39-14-13-23(34)40-16-20-9-5-3-6-10-20/h3-14,18-19H,15-17H2,1-2H3,(H2,28,33)(H,29,35)(H,30,37)(H,31,36)/b14-13+/t18-,19-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



School of Chemistry and Biochemistry and the Parker H. Petit Institute for Bioengineering and Bioscience

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated for Irreversible Inhibition of S. mansoni Legumain

J Med Chem 47: 1889-92 (2004)


Article DOI: 10.1021/jm049938j
BindingDB Entry DOI: 10.7270/Q2BZ65G0
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50015360
PNG
(CHEMBL3264588)
Show SMILES COc1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
Show InChI InChI=1S/C24H26N4O5/c1-32-20-10-8-18(9-11-20)17-6-4-16(5-7-17)15-33-24(31)28-12-2-3-21(28)23(30)27-19(14-25)13-22(26)29/h4-11,19,21H,2-3,12-13,15H2,1H3,(H2,26,29)(H,27,30)/t19-,21-/m0/s1
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n/an/a 41n/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

Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
More data for this
Ligand-Target Pair
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