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PubMed code 23252745

Compile data set for download or QSAR
Found 86 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
Cathepsin B


(Homo sapiens (Human))		BDBM50425030
PNG
(CHEMBL2312216)
Show SMILES Oc1c(CNCC#N)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C12H10N4O3/c13-3-5-14-7-8-6-10(16(18)19)9-2-1-4-15-11(9)12(8)17/h1-2,4,6,14,17H,5,7H2
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PubMed
 5.00E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for en...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425013
PNG
(CHEMBL2312214)
Show SMILES Oc1c(CN(CC#N)Cc2ccccc2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C19H16N4O3/c20-8-10-22(12-14-5-2-1-3-6-14)13-15-11-17(23(25)26)16-7-4-9-21-18(16)19(15)24/h1-7,9,11,24H,10,12-13H2
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PubMed
 8.00E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate assessed as inhibition co...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425013
PNG
(CHEMBL2312214)
Show SMILES Oc1c(CN(CC#N)Cc2ccccc2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C19H16N4O3/c20-8-10-22(12-14-5-2-1-3-6-14)13-15-11-17(23(25)26)16-7-4-9-21-18(16)19(15)24/h1-7,9,11,24H,10,12-13H2
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PubMed
 1.90E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for en...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425024
PNG
(CHEMBL2312204)
Show SMILES CC1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C15H17N3O2/c1-11-6-9-17(10-7-11)14-5-4-13(18(19)20)12-3-2-8-16-15(12)14/h2-5,8,11H,6-7,9-10H2,1H3
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PubMed
 2.40E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425017
PNG
(CHEMBL2312203)
Show SMILES Nc1c(Br)cc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C10H7BrN2O2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,12H2
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 3.20E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for en...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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 3.40E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425012
PNG
(CHEMBL2312206)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C19H24N4O3/c1-3-21(4-2)19(24)14-7-6-12-22(13-14)17-10-9-16(23(25)26)15-8-5-11-20-18(15)17/h5,8-11,14H,3-4,6-7,12-13H2,1-2H3
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 3.60E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate assessed as inhibition co...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425023
PNG
(CHEMBL2312205)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C17H19N3O4/c1-2-24-17(21)12-7-10-19(11-8-12)15-6-5-14(20(22)23)13-4-3-9-18-16(13)15/h3-6,9,12H,2,7-8,10-11H2,1H3
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 3.80E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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PubMed
 3.95E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of cathepsin B (unknown origin) endopeptidase activity assessed as inhibition constant for enzyme-substrate-inhibitor complex

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cathepsin B


(Homo sapiens (Human))		BDBM50425021
PNG
(CHEMBL2312209)
Show SMILES [O-][N+](=O)c1ccc(NCc2ccccn2)c2ncccc12
Show InChI InChI=1S/C15H12N4O2/c20-19(21)14-7-6-13(15-12(14)5-3-9-17-15)18-10-11-4-1-2-8-16-11/h1-9,18H,10H2
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PubMed
 4.70E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425033
PNG
(CHEMBL2312212)
Show SMILES Oc1c(CNCc2ccccc2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C17H15N3O3/c21-17-13(11-18-10-12-5-2-1-3-6-12)9-15(20(22)23)14-7-4-8-19-16(14)17/h1-9,18,21H,10-11H2
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 5.80E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425026
PNG
(CHEMBL241898)
Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)[N+]([O-])=O
Show InChI InChI=1S/C9H5N3O5/c13-9-7(12(16)17)4-6(11(14)15)5-2-1-3-10-8(5)9/h1-4,13H
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 7.20E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for en...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425027
PNG
(CHEMBL2312219)
Show SMILES CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+]([O-])=O)c2cccnc2c1O |r|
Show InChI InChI=1S/C19H23N3O5/c1-2-27-19(24)13-6-3-4-8-15(13)21-11-12-10-16(22(25)26)14-7-5-9-20-17(14)18(12)23/h5,7,9-10,13,15,21,23H,2-4,6,8,11H2,1H3/t13-,15+/m1/s1
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 7.40E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425031
PNG
(CHEMBL2312215)
Show SMILES CN(CC#N)Cc1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C13H12N4O3/c1-16(6-4-14)8-9-7-11(17(19)20)10-3-2-5-15-12(10)13(9)18/h2-3,5,7,18H,6,8H2,1H3
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 7.60E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425013
PNG
(CHEMBL2312214)
Show SMILES Oc1c(CN(CC#N)Cc2ccccc2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C19H16N4O3/c20-8-10-22(12-14-5-2-1-3-6-14)13-15-11-17(23(25)26)16-7-4-9-21-18(16)19(15)24/h1-7,9,11,24H,10,12-13H2
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 7.90E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate assessed as inhibition co...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425032
PNG
(CHEMBL2312213)
Show SMILES CCNCc1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C12H13N3O3/c1-2-13-7-8-6-10(15(17)18)9-4-3-5-14-11(9)12(8)16/h3-6,13,16H,2,7H2,1H3
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 8.20E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425036
PNG
(CHEMBL2312200)
Show SMILES Oc1ccc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C10H7NO3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,12H
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 8.40E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425018
PNG
(CHEMBL2312202)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O3/c17-16(18)14-6-5-13(15-7-9-19-10-8-15)11-3-1-2-4-12(11)14/h1-6H,7-10H2
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 8.50E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425028
PNG
(CHEMBL2312218)
Show SMILES CCOC(=O)N1CCN(Cc2cc([N+]([O-])=O)c3cccnc3c2O)CC1
Show InChI InChI=1S/C17H20N4O5/c1-2-26-17(23)20-8-6-19(7-9-20)11-12-10-14(21(24)25)13-4-3-5-18-15(13)16(12)22/h3-5,10,22H,2,6-9,11H2,1H3
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 8.70E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425021
PNG
(CHEMBL2312209)
Show SMILES [O-][N+](=O)c1ccc(NCc2ccccn2)c2ncccc12
Show InChI InChI=1S/C15H12N4O2/c20-19(21)14-7-6-13(15-12(14)5-3-9-17-15)18-10-11-4-1-2-8-16-11/h1-9,18H,10H2
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 8.70E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425034
PNG
(CHEMBL2312211)
Show SMILES Oc1c(CN2CCN(Cc3ccncc3)CC2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C20H21N5O3/c26-20-16(12-18(25(27)28)17-2-1-5-22-19(17)20)14-24-10-8-23(9-11-24)13-15-3-6-21-7-4-15/h1-7,12,26H,8-11,13-14H2
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 9.40E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425012
PNG
(CHEMBL2312206)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C19H24N4O3/c1-3-21(4-2)19(24)14-7-6-12-22(13-14)17-10-9-16(23(25)26)15-8-5-11-20-18(15)17/h5,8-11,14H,3-4,6-7,12-13H2,1-2H3
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 1.05E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate assessed as inhibition co...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425024
PNG
(CHEMBL2312204)
Show SMILES CC1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C15H17N3O2/c1-11-6-9-17(10-7-11)14-5-4-13(18(19)20)12-3-2-8-16-15(12)14/h2-5,8,11H,6-7,9-10H2,1H3
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 1.05E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425021
PNG
(CHEMBL2312209)
Show SMILES [O-][N+](=O)c1ccc(NCc2ccccn2)c2ncccc12
Show InChI InChI=1S/C15H12N4O2/c20-19(21)14-7-6-13(15-12(14)5-3-9-17-15)18-10-11-4-1-2-8-16-11/h1-9,18H,10H2
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 1.07E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425019
PNG
(CHEMBL2312201 | EN300-99795)
Show SMILES Nc1ccc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2
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PubMed
 1.11E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425023
PNG
(CHEMBL2312205)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C17H19N3O4/c1-2-24-17(21)12-7-10-19(11-8-12)15-6-5-14(20(22)23)13-4-3-9-18-16(13)15/h3-6,9,12H,2,7-8,10-11H2,1H3
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 1.13E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425029
PNG
(CHEMBL2312217)
Show SMILES C[C@@H]1CCCCN1Cc1cc([N+]([O-])=O)c2cccnc2c1O |r|
Show InChI InChI=1S/C16H19N3O3/c1-11-5-2-3-8-18(11)10-12-9-14(19(21)22)13-6-4-7-17-15(13)16(12)20/h4,6-7,9,11,20H,2-3,5,8,10H2,1H3/t11-/m1/s1
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 1.16E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425015
PNG
(CHEMBL2312221)
Show SMILES OC(=O)c1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C10H6N2O5/c13-9-6(10(14)15)4-7(12(16)17)5-2-1-3-11-8(5)9/h1-4,13H,(H,14,15)
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 1.17E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for en...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425032
PNG
(CHEMBL2312213)
Show SMILES CCNCc1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C12H13N3O3/c1-2-13-7-8-6-10(15(17)18)9-4-3-5-14-11(9)12(8)16/h3-6,13,16H,2,7H2,1H3
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 1.17E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425012
PNG
(CHEMBL2312206)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C19H24N4O3/c1-3-21(4-2)19(24)14-7-6-12-22(13-14)17-10-9-16(23(25)26)15-8-5-11-20-18(15)17/h5,8-11,14H,3-4,6-7,12-13H2,1-2H3
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 1.17E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50425030
PNG
(CHEMBL2312216)
Show SMILES Oc1c(CNCC#N)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C12H10N4O3/c13-3-5-14-7-8-6-10(16(18)19)9-2-1-4-15-11(9)12(8)17/h1-2,4,6,14,17H,5,7H2
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 1.24E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin L endopeptidase activity using Z-FR-AMC substrate expressed in Escherichia coli assessed as inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425016
PNG
(CHEMBL2312220)
Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+]([O-])=O)c2cccnc2c1O |r|
Show InChI InChI=1S/C17H19N3O5/c21-16-10(9-19-13-6-2-1-4-11(13)17(22)23)8-14(20(24)25)12-5-3-7-18-15(12)16/h3,5,7-8,11,13,19,21H,1-2,4,6,9H2,(H,22,23)/t11-,13+/m1/s1
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 1.25E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425018
PNG
(CHEMBL2312202)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O3/c17-16(18)14-6-5-13(15-7-9-19-10-8-15)11-3-1-2-4-12(11)14/h1-6H,7-10H2
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 1.25E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425031
PNG
(CHEMBL2312215)
Show SMILES CN(CC#N)Cc1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C13H12N4O3/c1-16(6-4-14)8-9-7-11(17(19)20)10-3-2-5-15-12(10)13(9)18/h2-3,5,7,18H,6,8H2,1H3
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 1.26E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425022
PNG
(CHEMBL2312207)
Show SMILES [O-][N+](=O)c1ccc(NCc2ccccc2)c2ncccc12
Show InChI InChI=1S/C16H13N3O2/c20-19(21)15-9-8-14(16-13(15)7-4-10-17-16)18-11-12-5-2-1-3-6-12/h1-10,18H,11H2
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 1.27E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50425030
PNG
(CHEMBL2312216)
Show SMILES Oc1c(CNCC#N)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C12H10N4O3/c13-3-5-14-7-8-6-10(16(18)19)9-2-1-4-15-11(9)12(8)17/h1-2,4,6,14,17H,5,7H2
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 1.29E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-inhibito...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50425030
PNG
(CHEMBL2312216)
Show SMILES Oc1c(CNCC#N)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C12H10N4O3/c13-3-5-14-7-8-6-10(16(18)19)9-2-1-4-15-11(9)12(8)17/h1-2,4,6,14,17H,5,7H2
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 1.29E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-substrat...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425028
PNG
(CHEMBL2312218)
Show SMILES CCOC(=O)N1CCN(Cc2cc([N+]([O-])=O)c3cccnc3c2O)CC1
Show InChI InChI=1S/C17H20N4O5/c1-2-26-17(23)20-8-6-19(7-9-20)11-12-10-14(21(24)25)13-4-3-5-18-15(13)16(12)22/h3-5,10,22H,2,6-9,11H2,1H3
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 1.29E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425027
PNG
(CHEMBL2312219)
Show SMILES CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+]([O-])=O)c2cccnc2c1O |r|
Show InChI InChI=1S/C19H23N3O5/c1-2-27-19(24)13-6-3-4-8-15(13)21-11-12-10-16(22(25)26)14-7-5-9-20-17(14)18(12)23/h5,7,9-10,13,15,21,23H,2-4,6,8,11H2,1H3/t13-,15+/m1/s1
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 1.30E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425027
PNG
(CHEMBL2312219)
Show SMILES CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+]([O-])=O)c2cccnc2c1O |r|
Show InChI InChI=1S/C19H23N3O5/c1-2-27-19(24)13-6-3-4-8-15(13)21-11-12-10-16(22(25)26)14-7-5-9-20-17(14)18(12)23/h5,7,9-10,13,15,21,23H,2-4,6,8,11H2,1H3/t13-,15+/m1/s1
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 1.32E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425032
PNG
(CHEMBL2312213)
Show SMILES CCNCc1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C12H13N3O3/c1-2-13-7-8-6-10(15(17)18)9-4-3-5-14-11(9)12(8)16/h3-6,13,16H,2,7H2,1H3
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 1.36E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425014
PNG
(CHEMBL2312208)
Show SMILES CN(Cc1ccccc1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C17H15N3O2/c1-19(12-13-6-3-2-4-7-13)16-10-9-15(20(21)22)14-8-5-11-18-17(14)16/h2-11H,12H2,1H3
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 1.37E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425034
PNG
(CHEMBL2312211)
Show SMILES Oc1c(CN2CCN(Cc3ccncc3)CC2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C20H21N5O3/c26-20-16(12-18(25(27)28)17-2-1-5-22-19(17)20)14-24-10-8-23(9-11-24)13-15-3-6-21-7-4-15/h1-7,12,26H,8-11,13-14H2
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 1.43E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425026
PNG
(CHEMBL241898)
Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)[N+]([O-])=O
Show InChI InChI=1S/C9H5N3O5/c13-9-7(12(16)17)4-6(11(14)15)5-2-1-3-10-8(5)9/h1-4,13H
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 1.46E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425019
PNG
(CHEMBL2312201 | EN300-99795)
Show SMILES Nc1ccc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2
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 1.47E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425025
PNG
(CHEMBL2312224)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c2ncccc12
Show InChI InChI=1S/C13H13N3O3/c17-16(18)11-3-4-12(15-6-8-19-9-7-15)13-10(11)2-1-5-14-13/h1-5H,6-9H2
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 1.53E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425033
PNG
(CHEMBL2312212)
Show SMILES Oc1c(CNCc2ccccc2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C17H15N3O3/c21-17-13(11-18-10-12-5-2-1-3-6-12)9-15(20(22)23)14-7-4-8-19-16(14)17/h1-9,18,21H,10-11H2
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 1.54E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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 1.54E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of cathepsin B (unknown origin) endopeptidase activity assessed as inhibition constant for enzyme-inhibitor complex

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Procathepsin L


(Homo sapiens (Human))		BDBM50425024
PNG
(CHEMBL2312204)
Show SMILES CC1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C15H17N3O2/c1-11-6-9-17(10-7-11)14-5-4-13(18(19)20)12-3-2-8-16-15(12)14/h2-5,8,11H,6-7,9-10H2,1H3
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 1.55E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin L endopeptidase activity using Z-FR-AMC substrate expressed in Escherichia coli assessed as inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425012
PNG
(CHEMBL2312206)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C19H24N4O3/c1-3-21(4-2)19(24)14-7-6-12-22(13-14)17-10-9-16(23(25)26)15-8-5-11-20-18(15)17/h5,8-11,14H,3-4,6-7,12-13H2,1-2H3
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 1.55E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425025
PNG
(CHEMBL2312224)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c2ncccc12
Show InChI InChI=1S/C13H13N3O3/c17-16(18)11-3-4-12(15-6-8-19-9-7-15)13-10(11)2-1-5-14-13/h1-5H,6-9H2
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 1.55E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425028
PNG
(CHEMBL2312218)
Show SMILES CCOC(=O)N1CCN(Cc2cc([N+]([O-])=O)c3cccnc3c2O)CC1
Show InChI InChI=1S/C17H20N4O5/c1-2-26-17(23)20-8-6-19(7-9-20)11-12-10-14(21(24)25)13-4-3-5-18-15(13)16(12)22/h3-5,10,22H,2,6-9,11H2,1H3
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 1.56E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425023
PNG
(CHEMBL2312205)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C17H19N3O4/c1-2-24-17(21)12-7-10-19(11-8-12)15-6-5-14(20(22)23)13-4-3-9-18-16(13)15/h3-6,9,12H,2,7-8,10-11H2,1H3
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 1.62E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425034
PNG
(CHEMBL2312211)
Show SMILES Oc1c(CN2CCN(Cc3ccncc3)CC2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C20H21N5O3/c26-20-16(12-18(25(27)28)17-2-1-5-22-19(17)20)14-24-10-8-23(9-11-24)13-15-3-6-21-7-4-15/h1-7,12,26H,8-11,13-14H2
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 1.62E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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 1.70E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425035
PNG
(CHEMBL2312210)
Show SMILES Oc1c(CN2CCN(Cc3cccnc3)CC2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C20H21N5O3/c26-20-16(11-18(25(27)28)17-4-2-6-22-19(17)20)14-24-9-7-23(8-10-24)13-15-3-1-5-21-12-15/h1-6,11-12,26H,7-10,13-14H2
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 1.71E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425031
PNG
(CHEMBL2312215)
Show SMILES CN(CC#N)Cc1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C13H12N4O3/c1-16(6-4-14)8-9-7-11(17(19)20)10-3-2-5-15-12(10)13(9)18/h2-3,5,7,18H,6,8H2,1H3
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 1.72E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425020
PNG
(CHEMBL2312199)
Show SMILES CN(CCc1ccccc1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C18H17N3O2/c1-20(13-11-14-6-3-2-4-7-14)17-10-9-16(21(22)23)15-8-5-12-19-18(15)17/h2-10,12H,11,13H2,1H3
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 1.75E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for en...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425025
PNG
(CHEMBL2312224)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c2ncccc12
Show InChI InChI=1S/C13H13N3O3/c17-16(18)11-3-4-12(15-6-8-19-9-7-15)13-10(11)2-1-5-14-13/h1-5H,6-9H2
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 1.80E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425016
PNG
(CHEMBL2312220)
Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+]([O-])=O)c2cccnc2c1O |r|
Show InChI InChI=1S/C17H19N3O5/c21-16-10(9-19-13-6-2-1-4-11(13)17(22)23)8-14(20(24)25)12-5-3-7-18-15(12)16/h3,5,7-8,11,13,19,21H,1-2,4,6,9H2,(H,22,23)/t11-,13+/m1/s1
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 1.81E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50425017
PNG
(CHEMBL2312203)
Show SMILES Nc1c(Br)cc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C10H7BrN2O2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,12H2
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 1.82E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin L endopeptidase activity using Z-FR-AMC substrate expressed in Escherichia coli assessed as inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425014
PNG
(CHEMBL2312208)
Show SMILES CN(Cc1ccccc1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C17H15N3O2/c1-19(12-13-6-3-2-4-7-13)16-10-9-15(20(21)22)14-8-5-11-18-17(14)16/h2-11H,12H2,1H3
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 1.96E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate assessed as inhibit...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425033
PNG
(CHEMBL2312212)
Show SMILES Oc1c(CNCc2ccccc2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C17H15N3O3/c21-17-13(11-18-10-12-5-2-1-3-6-12)9-15(20(22)23)14-7-4-8-19-16(14)17/h1-9,18,21H,10-11H2
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 1.98E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425029
PNG
(CHEMBL2312217)
Show SMILES C[C@@H]1CCCCN1Cc1cc([N+]([O-])=O)c2cccnc2c1O |r|
Show InChI InChI=1S/C16H19N3O3/c1-11-5-2-3-8-18(11)10-12-9-14(19(21)22)13-6-4-7-17-15(13)16(12)20/h4,6-7,9,11,20H,2-3,5,8,10H2,1H3/t11-/m1/s1
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 2.03E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425024
PNG
(CHEMBL2312204)
Show SMILES CC1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C15H17N3O2/c1-11-6-9-17(10-7-11)14-5-4-13(18(19)20)12-3-2-8-16-15(12)14/h2-5,8,11H,6-7,9-10H2,1H3
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 2.07E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425017
PNG
(CHEMBL2312203)
Show SMILES Nc1c(Br)cc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C10H7BrN2O2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,12H2
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 2.12E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425019
PNG
(CHEMBL2312201 | EN300-99795)
Show SMILES Nc1ccc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2
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 2.17E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425015
PNG
(CHEMBL2312221)
Show SMILES OC(=O)c1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C10H6N2O5/c13-9-6(10(14)15)4-7(12(16)17)5-2-1-3-11-8(5)9/h1-4,13H,(H,14,15)
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 2.21E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate assessed as inhibit...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50425024
PNG
(CHEMBL2312204)
Show SMILES CC1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C15H17N3O2/c1-11-6-9-17(10-7-11)14-5-4-13(18(19)20)12-3-2-8-16-15(12)14/h2-5,8,11H,6-7,9-10H2,1H3
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 2.21E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-substrat...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50425024
PNG
(CHEMBL2312204)
Show SMILES CC1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C15H17N3O2/c1-11-6-9-17(10-7-11)14-5-4-13(18(19)20)12-3-2-8-16-15(12)14/h2-5,8,11H,6-7,9-10H2,1H3
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 2.21E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-inhibito...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425014
PNG
(CHEMBL2312208)
Show SMILES CN(Cc1ccccc1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C17H15N3O2/c1-19(12-13-6-3-2-4-7-13)16-10-9-15(20(21)22)14-8-5-11-18-17(14)16/h2-11H,12H2,1H3
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 2.42E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425029
PNG
(CHEMBL2312217)
Show SMILES C[C@@H]1CCCCN1Cc1cc([N+]([O-])=O)c2cccnc2c1O |r|
Show InChI InChI=1S/C16H19N3O3/c1-11-5-2-3-8-18(11)10-12-9-14(19(21)22)13-6-4-7-17-15(13)16(12)20/h4,6-7,9,11,20H,2-3,5,8,10H2,1H3/t11-/m1/s1
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 2.43E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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 2.45E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin L endopeptidase activity using Z-FR-AMC substrate expressed in Escherichia coli assessed as inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425016
PNG
(CHEMBL2312220)
Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+]([O-])=O)c2cccnc2c1O |r|
Show InChI InChI=1S/C17H19N3O5/c21-16-10(9-19-13-6-2-1-4-11(13)17(22)23)8-14(20(24)25)12-5-3-7-18-15(12)16/h3,5,7-8,11,13,19,21H,1-2,4,6,9H2,(H,22,23)/t11-,13+/m1/s1
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 2.50E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate assessed as inhibit...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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 2.51E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-substrate...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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 2.72E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of cathepsin B (unknown origin) exopeptidase activity assessed as inhibition constant for enzyme-inhibitor complex

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cathepsin B


(Homo sapiens (Human))		BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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 2.77E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425018
PNG
(CHEMBL2312202)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O3/c17-16(18)14-6-5-13(15-7-9-19-10-8-15)11-3-1-2-4-12(11)14/h1-6H,7-10H2
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 2.89E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425035
PNG
(CHEMBL2312210)
Show SMILES Oc1c(CN2CCN(Cc3cccnc3)CC2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C20H21N5O3/c26-20-16(11-18(25(27)28)17-4-2-6-22-19(17)20)14-24-9-7-23(8-10-24)13-15-3-1-5-21-12-15/h1-6,11-12,26H,7-10,13-14H2
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 3.11E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425022
PNG
(CHEMBL2312207)
Show SMILES [O-][N+](=O)c1ccc(NCc2ccccc2)c2ncccc12
Show InChI InChI=1S/C16H13N3O2/c20-19(21)15-9-8-14(16-13(15)7-4-10-17-16)18-11-12-5-2-1-3-6-12/h1-10,18H,11H2
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 3.49E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425020
PNG
(CHEMBL2312199)
Show SMILES CN(CCc1ccccc1)c1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C18H17N3O2/c1-20(13-11-14-6-3-2-4-7-14)17-10-9-16(21(22)23)15-8-5-12-19-18(15)17/h2-10,12H,11,13H2,1H3
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 3.50E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50425017
PNG
(CHEMBL2312203)
Show SMILES Nc1c(Br)cc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C10H7BrN2O2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,12H2
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 3.54E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-substrate...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425035
PNG
(CHEMBL2312210)
Show SMILES Oc1c(CN2CCN(Cc3cccnc3)CC2)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C20H21N5O3/c26-20-16(11-18(25(27)28)17-4-2-6-22-19(17)20)14-24-9-7-23(8-10-24)13-15-3-1-5-21-12-15/h1-6,11-12,26H,7-10,13-14H2
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 3.64E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425022
PNG
(CHEMBL2312207)
Show SMILES [O-][N+](=O)c1ccc(NCc2ccccc2)c2ncccc12
Show InChI InChI=1S/C16H13N3O2/c20-19(21)15-9-8-14(16-13(15)7-4-10-17-16)18-11-12-5-2-1-3-6-12/h1-10,18H,11H2
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 3.64E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425036
PNG
(CHEMBL2312200)
Show SMILES Oc1ccc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C10H7NO3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,12H
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 3.73E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50425030
PNG
(CHEMBL2312216)
Show SMILES Oc1c(CNCC#N)cc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C12H10N4O3/c13-3-5-14-7-8-6-10(16(18)19)9-2-1-4-15-11(9)12(8)17/h1-2,4,6,14,17H,5,7H2
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 4.26E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate

J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%