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Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'bartz' and Initial = 'u'   
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 D


(Homo sapiens (Human))
BDBM50030745
PNG
(CHEMBL3342185 | acs.jmedchem.1c00409_ST.412)
Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C#N
Show InChI InChI=1S/C22H26N4O3/c1-22(2,3)29-21(28)24-26(17-23)16-20(27)25(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3,(H,24,28)
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0.00143n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50030746
PNG
(CHEMBL3342184 | acs.jmedchem.1c00409_ST.413)
Show SMILES CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,18,22)
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0.00420n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50030747
PNG
(CHEMBL3342183)
Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C12H20N4O4/c1-12(2,3)20-11(18)14-16(9-13)8-10(17)15-4-6-19-7-5-15/h4-8H2,1-3H3,(H,14,18)
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0.0110n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50030745
PNG
(CHEMBL3342185 | acs.jmedchem.1c00409_ST.412)
Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C#N
Show InChI InChI=1S/C22H26N4O3/c1-22(2,3)29-21(28)24-26(17-23)16-20(27)25(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3,(H,24,28)
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0.130n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50030746
PNG
(CHEMBL3342184 | acs.jmedchem.1c00409_ST.413)
Show SMILES CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,18,22)
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0.176n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50030745
PNG
(CHEMBL3342185 | acs.jmedchem.1c00409_ST.412)
Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C#N
Show InChI InChI=1S/C22H26N4O3/c1-22(2,3)29-21(28)24-26(17-23)16-20(27)25(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3,(H,24,28)
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0.406n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50030746
PNG
(CHEMBL3342184 | acs.jmedchem.1c00409_ST.413)
Show SMILES CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,18,22)
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0.459n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50510762
PNG
(CHEMBL4442025)
Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C28H30N4O2/c1-20(2)18-26(28(34)32(4)31(3)19-29)30-27(33)25-16-14-24(15-17-25)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h5-17,20,26H,18H2,1-4H3,(H,30,33)
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0.690n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Z-Phe-Arg-AMC as substrate incubated for 30 mins by fluorescence based assay


Bioorg Med Chem 27: 1-15 (2019)


Article DOI: 10.1016/j.bmc.2018.10.017
BindingDB Entry DOI: 10.7270/Q21G0QK2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50030747
PNG
(CHEMBL3342183)
Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C12H20N4O4/c1-12(2,3)20-11(18)14-16(9-13)8-10(17)15-4-6-19-7-5-15/h4-8H2,1-3H3,(H,14,18)
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0.777n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM19855
PNG
(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
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1.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50168941
PNG
(CHEMBL3804928)
Show SMILES OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C26H28N6O6/c27-14-21(17-37-18-22-15-32(31-30-22)12-11-24(33)34)28-25(35)23(13-19-7-3-1-4-8-19)29-26(36)38-16-20-9-5-2-6-10-20/h1-10,15,21,23H,11-13,16-18H2,(H,28,35)(H,29,36)(H,33,34)/t21-,23+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L using Cbz-Phe-Arg-pNA as substrate incubated for 30 mins measured for 20 mins by photometrical analysis


ACS Med Chem Lett 7: 211-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00474
BindingDB Entry DOI: 10.7270/Q2TH8PMM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50510761
PNG
(CHEMBL4440655)
Show SMILES CC(C)CC(NC(=O)c1ccc(Br)cc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H21BrN4O2/c1-11(2)9-14(16(23)21(4)20(3)10-18)19-15(22)12-5-7-13(17)8-6-12/h5-8,11,14H,9H2,1-4H3,(H,19,22)
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2n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Z-Phe-Arg-AMC as substrate incubated for 30 mins by fluorescence based assay


Bioorg Med Chem 27: 1-15 (2019)


Article DOI: 10.1016/j.bmc.2018.10.017
BindingDB Entry DOI: 10.7270/Q21G0QK2
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50030747
PNG
(CHEMBL3342183)
Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C12H20N4O4/c1-12(2,3)20-11(18)14-16(9-13)8-10(17)15-4-6-19-7-5-15/h4-8H2,1-3H3,(H,14,18)
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3.60n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560498
PNG
(CHEMBL4763197)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50510759
PNG
(CHEMBL4459206)
Show SMILES CC(C)CC(NC(=O)c1cccc(c1)-c1ccncc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C21H25N5O2/c1-15(2)12-19(21(28)26(4)25(3)14-22)24-20(27)18-7-5-6-17(13-18)16-8-10-23-11-9-16/h5-11,13,15,19H,12H2,1-4H3,(H,24,27)
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5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Z-Phe-Arg-AMC as substrate incubated for 30 mins by fluorescence based assay


Bioorg Med Chem 27: 1-15 (2019)


Article DOI: 10.1016/j.bmc.2018.10.017
BindingDB Entry DOI: 10.7270/Q21G0QK2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560496
PNG
(CHEMBL4790787)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50168948
PNG
(CHEMBL3805093)
Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C30H27BrN6O5/c31-24-8-4-5-20(13-24)14-27(34-29(40)23-11-9-22(10-12-23)21-6-2-1-3-7-21)30(41)33-25(15-32)18-42-19-26-16-37(36-35-26)17-28(38)39/h1-13,16,25,27H,14,17-19H2,(H,33,41)(H,34,40)(H,38,39)/t25-,27+/m1/s1
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19n/an/an/an/an/an/a4.5n/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH as substrate at pH 4.5 incubated for 30 mins measured for 10 mins by ...


ACS Med Chem Lett 7: 211-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00474
BindingDB Entry DOI: 10.7270/Q2TH8PMM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560498
PNG
(CHEMBL4763197)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560495
PNG
(CHEMBL4797550)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50168939
PNG
(CHEMBL3804975)
Show SMILES O=C(NCC#N)[C@H](Cc1cccc(c1)-c1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C30H25N3O2/c31-18-19-32-30(35)28(21-22-8-7-13-27(20-22)24-11-5-2-6-12-24)33-29(34)26-16-14-25(15-17-26)23-9-3-1-4-10-23/h1-17,20,28H,19,21H2,(H,32,35)(H,33,34)/t28-/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K using Cbz-Leu-Arg-AMC as substrate incubated for 30 mins measured for 20 mins by spectrofluorometrical an...


ACS Med Chem Lett 7: 211-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00474
BindingDB Entry DOI: 10.7270/Q2TH8PMM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560487
PNG
(CHEMBL4760449)
Show SMILES Clc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50168944
PNG
(CHEMBL3805885)
Show SMILES COC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C31H29BrN6O5/c1-42-29(39)18-38-17-27(36-37-38)20-43-19-26(16-33)34-31(41)28(15-21-6-5-9-25(32)14-21)35-30(40)24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-14,17,26,28H,15,18-20H2,1H3,(H,34,41)(H,35,40)/t26-,28+/m1/s1
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26n/an/an/an/an/an/a6.0n/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


ACS Med Chem Lett 7: 211-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00474
BindingDB Entry DOI: 10.7270/Q2TH8PMM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560502
PNG
(CHEMBL4743577)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r|
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27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50168948
PNG
(CHEMBL3805093)
Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C30H27BrN6O5/c31-24-8-4-5-20(13-24)14-27(34-29(40)23-11-9-22(10-12-23)21-6-2-1-3-7-21)30(41)33-25(15-32)18-42-19-26-16-37(36-35-26)17-28(38)39/h1-13,16,25,27H,14,17-19H2,(H,33,41)(H,34,40)(H,38,39)/t25-,27+/m1/s1
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27n/an/an/an/an/an/a4.5n/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 4.5 incubated for 30 mins measured for 20 mins by photometrical analys...


ACS Med Chem Lett 7: 211-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00474
BindingDB Entry DOI: 10.7270/Q2TH8PMM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560485
PNG
(CHEMBL4779451)
Show SMILES Fc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560489
PNG
(CHEMBL4799671)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r|
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50030744
PNG
(CHEMBL3342186)
Show SMILES CN(N(CC(=O)N1CCOCC1)C#N)C(=O)OC(C)(C)C
Show InChI InChI=1S/C13H22N4O4/c1-13(2,3)21-12(19)15(4)17(10-14)9-11(18)16-5-7-20-8-6-16/h5-9H2,1-4H3
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31n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560492
PNG
(CHEMBL4761912)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560501
PNG
(CHEMBL4788237)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560494
PNG
(CHEMBL4748529)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
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41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50168948
PNG
(CHEMBL3805093)
Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C30H27BrN6O5/c31-24-8-4-5-20(13-24)14-27(34-29(40)23-11-9-22(10-12-23)21-6-2-1-3-7-21)30(41)33-25(15-32)18-42-19-26-16-37(36-35-26)17-28(38)39/h1-13,16,25,27H,14,17-19H2,(H,33,41)(H,34,40)(H,38,39)/t25-,27+/m1/s1
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41n/an/an/an/an/an/a6.0n/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


ACS Med Chem Lett 7: 211-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00474
BindingDB Entry DOI: 10.7270/Q2TH8PMM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560491
PNG
(CHEMBL4788083)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560492
PNG
(CHEMBL4761912)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560496
PNG
(CHEMBL4790787)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
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45n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560489
PNG
(CHEMBL4799671)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r|
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52n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560488
PNG
(CHEMBL4762158)
Show SMILES CC(C)C[C@@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560494
PNG
(CHEMBL4748529)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
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66n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560500
PNG
(CHEMBL4746892)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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67n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50168944
PNG
(CHEMBL3805885)
Show SMILES COC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C31H29BrN6O5/c1-42-29(39)18-38-17-27(36-37-38)20-43-19-26(16-33)34-31(41)28(15-21-6-5-9-25(32)14-21)35-30(40)24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-14,17,26,28H,15,18-20H2,1H3,(H,34,41)(H,35,40)/t26-,28+/m1/s1
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68n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K using Cbz-Leu-Arg-AMC as substrate incubated for 30 mins measured for 20 mins by spectrofluorometrical an...


ACS Med Chem Lett 7: 211-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00474
BindingDB Entry DOI: 10.7270/Q2TH8PMM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560500
PNG
(CHEMBL4746892)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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71n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560497
PNG
(CHEMBL4751561)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)NC1(CC1)C#N |r|
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74n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560484
PNG
(CHEMBL4792083)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
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75n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50560497
PNG
(CHEMBL4751561)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)NC1(CC1)C#N |r|
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79n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560491
PNG
(CHEMBL4788083)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
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83n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50560495
PNG
(CHEMBL4797550)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
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92n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50560502
PNG
(CHEMBL4743577)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r|
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96n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Phe-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50560487
PNG
(CHEMBL4760449)
Show SMILES Clc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
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111n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin L using Phe-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50168938
PNG
(CHEMBL3805662)
Show SMILES Brc1cccc(C[C@H](NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C24H20BrN3O2/c25-21-8-4-5-17(15-21)16-22(24(30)27-14-13-26)28-23(29)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-12,15,22H,14,16H2,(H,27,30)(H,28,29)/t22-/m0/s1
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120n/an/an/an/an/an/a6.0n/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


ACS Med Chem Lett 7: 211-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00474
BindingDB Entry DOI: 10.7270/Q2TH8PMM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50168938
PNG
(CHEMBL3805662)
Show SMILES Brc1cccc(C[C@H](NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C24H20BrN3O2/c25-21-8-4-5-17(15-21)16-22(24(30)27-14-13-26)28-23(29)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-12,15,22H,14,16H2,(H,27,30)(H,28,29)/t22-/m0/s1
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120n/an/an/an/an/an/a6.0n/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


ACS Med Chem Lett 7: 211-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00474
BindingDB Entry DOI: 10.7270/Q2TH8PMM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50168937
PNG
(CHEMBL3805807)
Show SMILES O=C(NCC#N)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H23N3O2/c29-16-17-30-28(33)26(19-20-10-11-22-8-4-5-9-25(22)18-20)31-27(32)24-14-12-23(13-15-24)21-6-2-1-3-7-21/h1-15,18,26H,17,19H2,(H,30,33)(H,31,32)/t26-/m0/s1
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126n/an/an/an/an/an/a6.0n/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


ACS Med Chem Lett 7: 211-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00474
BindingDB Entry DOI: 10.7270/Q2TH8PMM
More data for this
Ligand-Target Pair
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