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PubMed code 26653614

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
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))		BDBM50134272
PNG
(CHEMBL3746278)
Show SMILES C[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H23FN4O4S/c1-14(21(28)25-19(12-23)11-20(24)27)26(31(2,29)30)13-15-6-8-16(9-7-15)17-4-3-5-18(22)10-17/h3-10,14,19H,11,13H2,1-2H3,(H2,24,27)(H,25,28)/t14-,19-/m0/s1
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n/an/a 128n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134278
PNG
(CHEMBL3746674)
Show SMILES C[C@H](N(Cc1ccc(cc1)-c1ccc(F)c(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H22F2N4O4S/c1-13(21(29)26-17(11-24)10-20(25)28)27(32(2,30)31)12-14-3-5-15(6-4-14)16-7-8-18(22)19(23)9-16/h3-9,13,17H,10,12H2,1-2H3,(H2,25,28)(H,26,29)/t13-,17-/m0/s1
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n/an/a 252n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134276
PNG
(CHEMBL3746873)
Show SMILES C[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H22F2N4O4S/c1-13(21(29)26-16(11-24)10-19(25)28)27(32(2,30)31)12-14-6-8-15(9-7-14)17-4-3-5-18(22)20(17)23/h3-9,13,16H,10,12H2,1-2H3,(H2,25,28)(H,26,29)/t13-,16-/m0/s1
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n/an/a 323n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134270
PNG
(CHEMBL3746513)
Show SMILES C[C@H](N(Cc1ccc(cc1)-c1ccccc1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H23FN4O4S/c1-14(21(28)25-17(12-23)11-20(24)27)26(31(2,29)30)13-15-7-9-16(10-8-15)18-5-3-4-6-19(18)22/h3-10,14,17H,11,13H2,1-2H3,(H2,24,27)(H,25,28)/t14-,17-/m0/s1
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n/an/a 356n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134285
PNG
(CHEMBL3746972)
Show SMILES COc1cccc(c1)-c1ccc(CN([C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C22H26N4O5S/c1-15(22(28)25-19(13-23)12-21(24)27)26(32(3,29)30)14-16-7-9-17(10-8-16)18-5-4-6-20(11-18)31-2/h4-11,15,19H,12,14H2,1-3H3,(H2,24,27)(H,25,28)/t15-,19-/m0/s1
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n/an/a 378n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134282
PNG
(CHEMBL3745937)
Show SMILES CC(N(Cc1ccc(cc1)-c1cccc(Cl)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H23ClN4O4S/c1-14(21(28)25-19(12-23)11-20(24)27)26(31(2,29)30)13-15-6-8-16(9-7-15)17-4-3-5-18(22)10-17/h3-10,14,19H,11,13H2,1-2H3,(H2,24,27)(H,25,28)/t14?,19-/m0/s1
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n/an/a 425n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134287
PNG
(CHEMBL3746123)
Show SMILES CCOc1cccc(c1)-c1ccc(CN([C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C23H28N4O5S/c1-4-32-21-7-5-6-19(12-21)18-10-8-17(9-11-18)15-27(33(3,30)31)16(2)23(29)26-20(14-24)13-22(25)28/h5-12,16,20H,4,13,15H2,1-3H3,(H2,25,28)(H,26,29)/t16-,20-/m0/s1
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n/an/a 586n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134283
PNG
(CHEMBL3746339)
Show SMILES C[C@H](N(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H23F3N4O4S/c1-14(21(31)28-19(12-26)11-20(27)30)29(34(2,32)33)13-15-6-8-16(9-7-15)17-4-3-5-18(10-17)22(23,24)25/h3-10,14,19H,11,13H2,1-2H3,(H2,27,30)(H,28,31)/t14-,19-/m0/s1
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n/an/a 601n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134289
PNG
(CHEMBL3746549)
Show SMILES CC(C)Oc1cccc(c1)-c1ccc(CN([C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C24H30N4O5S/c1-16(2)33-22-7-5-6-20(12-22)19-10-8-18(9-11-19)15-28(34(4,31)32)17(3)24(30)27-21(14-25)13-23(26)29/h5-12,16-17,21H,13,15H2,1-4H3,(H2,26,29)(H,27,30)/t17-,21-/m0/s1
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n/an/a 882n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134274
PNG
(CHEMBL3746491)
Show SMILES C[C@H](N(Cc1ccc(cc1)-c1ccc(F)cc1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H23FN4O4S/c1-14(21(28)25-19(12-23)11-20(24)27)26(31(2,29)30)13-15-3-5-16(6-4-15)17-7-9-18(22)10-8-17/h3-10,14,19H,11,13H2,1-2H3,(H2,24,27)(H,25,28)/t14-,19-/m0/s1
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n/an/a 1.04E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134298
PNG
(CHEMBL3746654)
Show SMILES CCS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1F)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H24F2N4O4S/c1-3-33(31,32)28(14(2)22(30)27-17(12-25)11-20(26)29)13-15-7-9-16(10-8-15)18-5-4-6-19(23)21(18)24/h4-10,14,17H,3,11,13H2,1-2H3,(H2,26,29)(H,27,30)/t14-,17-/m0/s1
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n/an/a 1.09E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134280
PNG
(CHEMBL3746723)
Show SMILES C[C@H](N(Cc1ccc(cc1)-c1cc(F)cc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H22F2N4O4S/c1-13(21(29)26-19(11-24)10-20(25)28)27(32(2,30)31)12-14-3-5-15(6-4-14)16-7-17(22)9-18(23)8-16/h3-9,13,19H,10,12H2,1-2H3,(H2,25,28)(H,26,29)/t13-,19-/m0/s1
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n/an/a 1.36E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134277
PNG
(CHEMBL3747178)
Show SMILES C[C@@H](N(Cc1ccc(cc1)-c1cccc(F)c1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H22F2N4O4S/c1-13(21(29)26-16(11-24)10-19(25)28)27(32(2,30)31)12-14-6-8-15(9-7-14)17-4-3-5-18(22)20(17)23/h3-9,13,16H,10,12H2,1-2H3,(H2,25,28)(H,26,29)/t13-,16+/m1/s1
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n/an/a 1.46E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134302
PNG
(CHEMBL3746077)
Show SMILES CC(C)CS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1F)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C24H28F2N4O4S/c1-15(2)14-35(33,34)30(16(3)24(32)29-19(12-27)11-22(28)31)13-17-7-9-18(10-8-17)20-5-4-6-21(25)23(20)26/h4-10,15-16,19H,11,13-14H2,1-3H3,(H2,28,31)(H,29,32)/t16-,19-/m0/s1
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n/an/a 1.82E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134273
PNG
(CHEMBL3747399)
Show SMILES C[C@@H](N(Cc1ccc(cc1)-c1cccc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H23FN4O4S/c1-14(21(28)25-19(12-23)11-20(24)27)26(31(2,29)30)13-15-6-8-16(9-7-15)17-4-3-5-18(22)10-17/h3-10,14,19H,11,13H2,1-2H3,(H2,24,27)(H,25,28)/t14-,19+/m1/s1
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n/an/a 2.26E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134301
PNG
(CHEMBL3747185)
Show SMILES CC(C)CS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C24H29FN4O4S/c1-16(2)15-34(32,33)29(17(3)24(31)28-22(13-26)12-23(27)30)14-18-7-9-19(10-8-18)20-5-4-6-21(25)11-20/h4-11,16-17,22H,12,14-15H2,1-3H3,(H2,27,30)(H,28,31)/t17-,22-/m0/s1
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n/an/a 2.27E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134297
PNG
(CHEMBL3746076)
Show SMILES CCS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H25FN4O4S/c1-3-32(30,31)27(15(2)22(29)26-20(13-24)12-21(25)28)14-16-7-9-17(10-8-16)18-5-4-6-19(23)11-18/h4-11,15,20H,3,12,14H2,1-2H3,(H2,25,28)(H,26,29)/t15-,20-/m0/s1
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n/an/a 3.89E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134293
PNG
(CHEMBL3746369)
Show SMILES CCC[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C23H27FN4O4S/c1-3-5-21(23(30)27-20(14-25)13-22(26)29)28(33(2,31)32)15-16-8-10-17(11-9-16)18-6-4-7-19(24)12-18/h4,6-12,20-21H,3,5,13,15H2,1-2H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1
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n/an/a 4.38E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134290
PNG
(CHEMBL3746197)
Show SMILES CC(C)Oc1cccc(c1)-c1ccc(CN([C@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C24H30N4O5S/c1-16(2)33-22-7-5-6-20(12-22)19-10-8-18(9-11-19)15-28(34(4,31)32)17(3)24(30)27-21(14-25)13-23(26)29/h5-12,16-17,21H,13,15H2,1-4H3,(H2,26,29)(H,27,30)/t17-,21+/m1/s1
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n/an/a 5.05E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134286
PNG
(CHEMBL3747453)
Show SMILES COc1cccc(c1)-c1ccc(CN([C@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C22H26N4O5S/c1-15(22(28)25-19(13-23)12-21(24)27)26(32(3,29)30)14-16-7-9-17(10-8-16)18-5-4-6-20(11-18)31-2/h4-11,15,19H,12,14H2,1-3H3,(H2,24,27)(H,25,28)/t15-,19+/m1/s1
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n/an/a 5.85E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134292
PNG
(CHEMBL3746709)
Show SMILES CC[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H24F2N4O4S/c1-3-19(22(30)27-16(12-25)11-20(26)29)28(33(2,31)32)13-14-7-9-15(10-8-14)17-5-4-6-18(23)21(17)24/h4-10,16,19H,3,11,13H2,1-2H3,(H2,26,29)(H,27,30)/t16-,19-/m0/s1
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n/an/a 5.85E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134279
PNG
(CHEMBL3747285)
Show SMILES C[C@@H](N(Cc1ccc(cc1)-c1ccc(F)c(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H22F2N4O4S/c1-13(21(29)26-17(11-24)10-20(25)28)27(32(2,30)31)12-14-3-5-15(6-4-14)16-7-8-18(22)19(23)9-16/h3-9,13,17H,10,12H2,1-2H3,(H2,25,28)(H,26,29)/t13-,17+/m1/s1
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n/an/a 6.30E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134300
PNG
(CHEMBL3746661)
Show SMILES CCCS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1F)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C23H26F2N4O4S/c1-3-11-34(32,33)29(15(2)23(31)28-18(13-26)12-21(27)30)14-16-7-9-17(10-8-16)19-5-4-6-20(24)22(19)25/h4-10,15,18H,3,11-12,14H2,1-2H3,(H2,27,30)(H,28,31)/t15-,18-/m0/s1
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n/an/a 6.75E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134294
PNG
(CHEMBL3747591)
Show SMILES CCC[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C23H26F2N4O4S/c1-3-5-20(23(31)28-17(13-26)12-21(27)30)29(34(2,32)33)14-15-8-10-16(11-9-15)18-6-4-7-19(24)22(18)25/h4,6-11,17,20H,3,5,12,14H2,1-2H3,(H2,27,30)(H,28,31)/t17-,20-/m0/s1
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n/an/a 7.75E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134281
PNG
(CHEMBL3746279)
Show SMILES C[C@@H](N(Cc1ccc(cc1)-c1cc(F)cc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H22F2N4O4S/c1-13(21(29)26-19(11-24)10-20(25)28)27(32(2,30)31)12-14-3-5-15(6-4-14)16-7-17(22)9-18(23)8-16/h3-9,13,19H,10,12H2,1-2H3,(H2,25,28)(H,26,29)/t13-,19+/m1/s1
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n/an/a 9.25E+3n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134299
PNG
(CHEMBL3746915)
Show SMILES CCCS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C23H27FN4O4S/c1-3-11-33(31,32)28(16(2)23(30)27-21(14-25)13-22(26)29)15-17-7-9-18(10-8-17)19-5-4-6-20(24)12-19/h4-10,12,16,21H,3,11,13,15H2,1-2H3,(H2,26,29)(H,27,30)/t16-,21-/m0/s1
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n/an/a>1.00E+4n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134269
PNG
(CHEMBL3747523)
Show SMILES CC(N(Cc1ccc(Br)cc1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C15H19BrN4O4S/c1-10(15(22)19-13(8-17)7-14(18)21)20(25(2,23)24)9-11-3-5-12(16)6-4-11/h3-6,10,13H,7,9H2,1-2H3,(H2,18,21)(H,19,22)/t10?,13-/m0/s1
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n/an/a>1.00E+4n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134304
PNG
(CHEMBL3746883)
Show SMILES C[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1F)S(=O)(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C26H24F2N4O4S/c1-17(26(34)31-20(15-29)14-24(30)33)32(37(35,36)21-6-3-2-4-7-21)16-18-10-12-19(13-11-18)22-8-5-9-23(27)25(22)28/h2-13,17,20H,14,16H2,1H3,(H2,30,33)(H,31,34)/t17-,20-/m0/s1
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n/an/a>1.00E+4n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134296
PNG
(CHEMBL3747641)
Show SMILES CS(=O)(=O)N(CC(=O)N[C@@H](CC(N)=O)C#N)Cc1ccc(cc1)-c1cccc(F)c1F |r|
Show InChI InChI=1S/C20H20F2N4O4S/c1-31(29,30)26(12-19(28)25-15(10-23)9-18(24)27)11-13-5-7-14(8-6-13)16-3-2-4-17(21)20(16)22/h2-8,15H,9,11-12H2,1H3,(H2,24,27)(H,25,28)/t15-/m0/s1
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n/an/a>1.00E+4n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134275
PNG
(CHEMBL3746589)
Show SMILES C[C@@H](N(Cc1ccc(cc1)-c1ccc(F)cc1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H23FN4O4S/c1-14(21(28)25-19(12-23)11-20(24)27)26(31(2,29)30)13-15-3-5-16(6-4-15)17-7-9-18(22)10-8-17/h3-10,14,19H,11,13H2,1-2H3,(H2,24,27)(H,25,28)/t14-,19+/m1/s1
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n/an/a>1.00E+4n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134303
PNG
(CHEMBL3746011)
Show SMILES C[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1)S(=O)(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C26H25FN4O4S/c1-18(26(33)30-23(16-28)15-25(29)32)31(36(34,35)24-8-3-2-4-9-24)17-19-10-12-20(13-11-19)21-6-5-7-22(27)14-21/h2-14,18,23H,15,17H2,1H3,(H2,29,32)(H,30,33)/t18-,23-/m0/s1
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n/an/a>1.00E+4n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134291
PNG
(CHEMBL3746807)
Show SMILES CC[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H25FN4O4S/c1-3-20(22(29)26-19(13-24)12-21(25)28)27(32(2,30)31)14-15-7-9-16(10-8-15)17-5-4-6-18(23)11-17/h4-11,19-20H,3,12,14H2,1-2H3,(H2,25,28)(H,26,29)/t19-,20-/m0/s1
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n/an/a>1.00E+4n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134295
PNG
(CHEMBL3747109)
Show SMILES CS(=O)(=O)N(CC(=O)N[C@@H](CC(N)=O)C#N)Cc1ccc(cc1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H21FN4O4S/c1-30(28,29)25(13-20(27)24-18(11-22)10-19(23)26)12-14-5-7-15(8-6-14)16-3-2-4-17(21)9-16/h2-9,18H,10,12-13H2,1H3,(H2,23,26)(H,24,27)/t18-/m0/s1
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n/an/a>1.00E+4n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134288
PNG
(CHEMBL3746855)
Show SMILES CCOc1cccc(c1)-c1ccc(CN([C@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C23H28N4O5S/c1-4-32-21-7-5-6-19(12-21)18-10-8-17(9-11-18)15-27(33(3,30)31)16(2)23(29)26-20(14-24)13-22(25)28/h5-12,16,20H,4,13,15H2,1-3H3,(H2,25,28)(H,26,29)/t16-,20+/m1/s1
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n/an/a>1.00E+4n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134284
PNG
(CHEMBL3746063)
Show SMILES C[C@@H](N(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C22H23F3N4O4S/c1-14(21(31)28-19(12-26)11-20(27)30)29(34(2,32)33)13-15-6-8-16(9-7-15)17-4-3-5-18(10-17)22(23,24)25/h3-10,14,19H,11,13H2,1-2H3,(H2,27,30)(H,28,31)/t14-,19+/m1/s1
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n/an/a>1.00E+4n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))		BDBM50134271
PNG
(CHEMBL3746777)
Show SMILES C[C@@H](N(Cc1ccc(cc1)-c1ccccc1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H23FN4O4S/c1-14(21(28)25-17(12-23)11-20(24)27)26(31(2,29)30)13-15-7-9-16(10-8-15)18-5-3-4-6-19(18)22/h3-10,14,17H,11,13H2,1-2H3,(H2,24,27)(H,25,28)/t14-,17+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/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 as substrate preincubated with protein followed by substrate addition measured every...

Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%