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PubMed code 26985300

Compile data set for download or QSAR
Found 110 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
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))		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))		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 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 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 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))		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 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
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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 131n/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 B


(Homo sapiens (Human))		BDBM50168947
PNG
(CHEMBL3805261)
Show SMILES OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C31H29BrN6O5/c32-25-8-4-5-21(15-25)16-28(35-30(41)24-11-9-23(10-12-24)22-6-2-1-3-7-22)31(42)34-26(17-33)19-43-20-27-18-38(37-36-27)14-13-29(39)40/h1-12,15,18,26,28H,13-14,16,19-20H2,(H,34,42)(H,35,41)(H,39,40)/t26-,28+/m1/s1
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 132n/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 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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 136n/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))		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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 178n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 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))		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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 180n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 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))		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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 186n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 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 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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PubMed
 205n/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 K


(Homo sapiens (Human))		BDBM50168947
PNG
(CHEMBL3805261)
Show SMILES OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C31H29BrN6O5/c32-25-8-4-5-21(15-25)16-28(35-30(41)24-11-9-23(10-12-24)22-6-2-1-3-7-22)31(42)34-26(17-33)19-43-20-27-18-38(37-36-27)14-13-29(39)40/h1-12,15,18,26,28H,13-14,16,19-20H2,(H,34,42)(H,35,41)(H,39,40)/t26-,28+/m1/s1
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 226n/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 K


(Homo sapiens (Human))		BDBM50168940
PNG
(CHEMBL3806231)
Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C25H26N6O6/c26-12-20(16-36-17-21-13-31(30-29-21)14-23(32)33)27-24(34)22(11-18-7-3-1-4-8-18)28-25(35)37-15-19-9-5-2-6-10-19/h1-10,13,20,22H,11,14-17H2,(H,27,34)(H,28,35)(H,32,33)/t20-,22+/m1/s1
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 310n/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 B


(Homo sapiens (Human))		BDBM20097
PNG
(dipeptide-derived nitrile, 18 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccco1)C(=O)NCC#N |r|
Show InChI InChI=1S/C14H19N3O4/c1-14(2,3)21-13(19)17-11(12(18)16-7-6-15)9-10-5-4-8-20-10/h4-5,8,11H,7,9H2,1-3H3,(H,16,18)(H,17,19)/t11-/m0/s1
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>330n/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))		BDBM20098
PNG
(dipeptide-derived nitrile, 19 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)NCC#N |r|
Show InChI InChI=1S/C14H19N3O3S/c1-14(2,3)20-13(19)17-11(12(18)16-7-6-15)9-10-5-4-8-21-10/h4-5,8,11H,7,9H2,1-3H3,(H,16,18)(H,17,19)/t11-/m0/s1
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>330n/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))		BDBM20096
PNG
(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O3/c20-11-12-21-18(23)17(13-15-7-3-1-4-8-15)22-19(24)25-14-16-9-5-2-6-10-16/h1-10,17H,12-14H2,(H,21,23)(H,22,24)/t17-/m0/s1
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>330n/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))		BDBM20089
PNG
(dipeptide-derived nitrile, 10 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCC#N |r|
Show InChI InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)16-10(8-9-4-5-9)11(17)15-7-6-14/h9-10H,4-5,7-8H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
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>330n/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))		BDBM20084
PNG
(dipeptide-derived nitrile, 4 | tert-butyl N-[(1S)-...)
Show SMILES CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
Show InChI InChI=1S/C11H19N3O3/c1-5-8(9(15)13-7-6-12)14-10(16)17-11(2,3)4/h8H,5,7H2,1-4H3,(H,13,15)(H,14,16)/t8-/m0/s1
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>330n/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))		BDBM20086
PNG
(dipeptide-derived nitrile, 6 | tert-butyl N-[(1S)-...)
Show SMILES CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
Show InChI InChI=1S/C12H21N3O3/c1-5-6-9(10(16)14-8-7-13)15-11(17)18-12(2,3)4/h9H,5-6,8H2,1-4H3,(H,14,16)(H,15,17)/t9-/m0/s1
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>330n/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))		BDBM50335287
PNG
(CHEMBL1651359 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)NCC#N |r|
Show InChI InChI=1S/C21H21N5O3S/c1-13(2)12-16(20(28)23-10-9-22)24-19(27)15-7-5-14(6-8-15)18-25-21(29-26-18)17-4-3-11-30-17/h3-8,11,13,16H,10,12H2,1-2H3,(H,23,28)(H,24,27)/t16-/m0/s1
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>330n/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))		BDBM20109
PNG
(dipeptide-derived nitrile, 30 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H20BrN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-9-8-18)10-11-6-4-5-7-12(11)17/h4-7,13H,9-10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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>330n/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))		BDBM20110
PNG
(dipeptide-derived nitrile, 31 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#N |r|
Show InChI InChI=1S/C18H22N4O3/c1-18(2,3)25-17(24)22-15(16(23)20-9-8-19)10-12-11-21-14-7-5-4-6-13(12)14/h4-7,11,15,21H,9-10H2,1-3H3,(H,20,23)(H,22,24)/t15-/m0/s1
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>330n/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))		BDBM50169003
PNG
(CHEMBL3805940)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C#N |r|
Show InChI InChI=1S/C16H29N3O3S/c1-11(2)9-13(19-15(21)22-16(3,4)5)14(20)18-12(10-17)7-8-23-6/h11-13H,7-9H2,1-6H3,(H,18,20)(H,19,21)/t12-,13-/m0/s1
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>330n/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))		BDBM50168960
PNG
(CHEMBL3804842)
Show SMILES CSCC[C@H](NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
Show InChI InChI=1S/C24H29N3O2S/c1-17(2)15-22(24(29)26-21(16-25)13-14-30-3)27-23(28)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,17,21-22H,13-15H2,1-3H3,(H,26,29)(H,27,28)/t21-,22?/m0/s1
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>330n/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))		BDBM20091
PNG
(dipeptide-derived nitrile, 12 | tert-butyl N-[(1S)...)
Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
Show InChI InChI=1S/C12H21N3O3S/c1-12(2,3)18-11(17)15-9(5-8-19-4)10(16)14-7-6-13/h9H,5,7-8H2,1-4H3,(H,14,16)(H,15,17)/t9-/m0/s1
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>330n/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))		BDBM50335286
PNG
(CHEMBL1651358 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)NCC#N |r|
Show InChI InChI=1S/C21H22N6O3S/c1-13(2)12-16(19(28)23-10-9-22)25-21(29)24-15-7-5-14(6-8-15)18-26-20(30-27-18)17-4-3-11-31-17/h3-8,11,13,16H,10,12H2,1-2H3,(H,23,28)(H2,24,25,29)/t16-/m0/s1
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>330n/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))		BDBM20121
PNG
(phenylalanine derivative, 37 | tert-butyl N-[(1S)-...)
Show SMILES CN(CC#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)19-14(15(21)20(4)11-10-18)12-13-8-6-5-7-9-13/h5-9,14H,11-12H2,1-4H3,(H,19,22)/t14-/m0/s1
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>330n/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))		BDBM20100
PNG
(dipeptide-derived nitrile, 21 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)20-14(15(21)19-12-11-18)10-9-13-7-5-4-6-8-13/h4-8,14H,9-10,12H2,1-3H3,(H,19,21)(H,20,22)/t14-/m0/s1
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>330n/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))		BDBM50168957
PNG
(CHEMBL3805185)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
Show InChI InChI=1S/C24H29N3O2S/c1-17(2)15-22(24(29)26-21(16-25)13-14-30-3)27-23(28)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,17,21-22H,13-15H2,1-3H3,(H,26,29)(H,27,28)/t21-,22-/m0/s1
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 330n/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))		BDBM20080
PNG
(dipeptide-derived nitrile, 1 | tert-butyl N-{[(cya...)
Show SMILES CC(C)(C)OC(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C9H15N3O3/c1-9(2,3)15-8(14)12-6-7(13)11-5-4-10/h5-6H2,1-3H3,(H,11,13)(H,12,14)
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>330n/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))		BDBM50168958
PNG
(CHEMBL3805141)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C#N |r|
Show InChI InChI=1S/C19H27N3O3S/c1-19(2,3)25-18(24)22-16(12-14-8-6-5-7-9-14)17(23)21-15(13-20)10-11-26-4/h5-9,15-16H,10-12H2,1-4H3,(H,21,23)(H,22,24)/t15-,16-/m0/s1
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>330n/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))		BDBM50168950
PNG
(CHEMBL3806204)
Show SMILES C[C@@H](C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C18H25N3O3/c1-13(12-19)21(5)16(22)15(11-14-9-7-6-8-10-14)20-17(23)24-18(2,3)4/h6-10,13,15H,11H2,1-5H3,(H,20,23)/t13-,15-/m0/s1
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>330n/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))		BDBM50304798
PNG
(CHEMBL595637 | benzyl(S)-1-((S)-1-cyanoethylamino)...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C#N |r|
Show InChI InChI=1S/C20H21N3O3/c1-15(13-21)22-19(24)18(12-16-8-4-2-5-9-16)23-20(25)26-14-17-10-6-3-7-11-17/h2-11,15,18H,12,14H2,1H3,(H,22,24)(H,23,25)/t15-,18-/m0/s1
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>330n/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))		BDBM20094
PNG
(dipeptide-derived nitrile, 15 | tert-butyl N-[(S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)NCC#N)c1ccccc1 |r|
Show InChI InChI=1S/C15H19N3O3/c1-15(2,3)21-14(20)18-12(13(19)17-10-9-16)11-7-5-4-6-8-11/h4-8,12H,10H2,1-3H3,(H,17,19)(H,18,20)/t12-/m0/s1
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>330n/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))		BDBM50168953
PNG
(CHEMBL3805271)
Show SMILES COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC#N)cc1 |r|
Show InChI InChI=1S/C20H21N3O4/c1-26-17-9-7-15(8-10-17)13-18(19(24)22-12-11-21)23-20(25)27-14-16-5-3-2-4-6-16/h2-10,18H,12-14H2,1H3,(H,22,24)(H,23,25)/t18-/m0/s1
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>330n/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))		BDBM20090
PNG
(dipeptide-derived nitrile, 11 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H27N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h12-13H,4-8,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
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>330n/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))		BDBM50410608
PNG
(CHEMBL200151)
Show SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)OCc1ccccc1
Show InChI InChI=1S/C17H21N3O3/c18-11-12-19-15(21)17(9-5-2-6-10-17)20-16(22)23-13-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-10,12-13H2,(H,19,21)(H,20,22)
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>330n/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))		BDBM50169005
PNG
(CHEMBL3805198)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C#N |r|
Show InChI InChI=1S/C19H26N4O4/c1-13(2)9-16(10-20)23-18(25)14(3)22-17(24)11-21-19(26)27-12-15-7-5-4-6-8-15/h4-8,13-14,16H,9,11-12H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)/t14-,16-/m0/s1
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>330n/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))		BDBM50168956
PNG
(CHEMBL3806077)
Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
Show InChI InChI=1S/C13H23N3O3/c1-6-9(2)10(11(17)15-8-7-14)16-12(18)19-13(3,4)5/h9-10H,6,8H2,1-5H3,(H,15,17)(H,16,18)/t9?,10-/m0/s1
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>330n/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))		BDBM20101
PNG
(dipeptide-derived nitrile, 22 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C17H23N3O4/c1-17(2,3)24-16(22)20-14(15(21)19-10-9-18)12-23-11-13-7-5-4-6-8-13/h4-8,14H,10-12H2,1-3H3,(H,19,21)(H,20,22)/t14-/m0/s1
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>330n/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))		BDBM20122
PNG
(phenylalanine derivative, 36 | tert-butyl N-[(1R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H21N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h4-8,13H,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1
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>330n/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))		BDBM20119
PNG
((2S)-N-(cyanomethyl)-3-phenyl-2-(phenylformamido)p...)
Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H17N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1
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>330n/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))		BDBM20082
PNG
(benzyl N-{[(cyanomethyl)carbamoyl]methyl}carbamate...)
Show SMILES O=C(CNC(=O)OCc1ccccc1)NCC#N
Show InChI InChI=1S/C12H13N3O3/c13-6-7-14-11(16)8-15-12(17)18-9-10-4-2-1-3-5-10/h1-5H,7-9H2,(H,14,16)(H,15,17)
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>330n/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))		BDBM92336
PNG
(Dipeptide nitrile, 10)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC#N)C#N |r|
Show InChI InChI=1S/C18H22N4O3/c1-18(2,3)25-17(24)22-15(11-13-7-5-4-6-8-13)16(23)21-14(12-20)9-10-19/h4-8,14-15H,9,11H2,1-3H3,(H,21,23)(H,22,24)/t14-,15-/m0/s1
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>330n/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))		BDBM20103
PNG
(dipeptide-derived nitrile, 24 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H20FN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-9-8-18)10-11-4-6-12(17)7-5-11/h4-7,13H,9-10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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>330n/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))		BDBM20093
PNG
(dipeptide-derived nitrile, 14 | tert-butyl (2S)-2-...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC#N |r|
Show InChI InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-8-4-5-9(15)10(16)14-7-6-13/h9H,4-5,7-8H2,1-3H3,(H,14,16)/t9-/m0/s1
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>330n/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))		BDBM20083
PNG
(dipeptide-derived nitrile, 3 | tert-butyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
Show InChI InChI=1S/C10H17N3O3/c1-7(8(14)12-6-5-11)13-9(15)16-10(2,3)4/h7H,6H2,1-4H3,(H,12,14)(H,13,15)/t7-/m0/s1
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>330n/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))		BDBM50168949
PNG
(CHEMBL3805125)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C11H13N3O/c12-6-7-14-11(15)10(13)8-9-4-2-1-3-5-9/h1-5,10H,7-8,13H2,(H,14,15)/t10-/m0/s1
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>330n/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))		BDBM20112
PNG
(dipeptide-derived nitrile, 33 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC#N |r|
Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)23-17(18(24)22-12-11-21)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,17H,12-13H2,1-3H3,(H,22,24)(H,23,25)/t17-/m0/s1
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>330n/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))		BDBM20102
PNG
(dipeptide-derived nitrile, 23 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)19-13(14(21)18-9-8-17)10-11-4-6-12(20)7-5-11/h4-7,13,20H,9-10H2,1-3H3,(H,18,21)(H,19,22)/t13-/m0/s1
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>330n/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))		BDBM50168959
PNG
(CHEMBL3805386)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C#N |r|
Show InChI InChI=1S/C19H33N3O3S/c1-19(2,3)25-18(24)22-16(12-14-8-6-5-7-9-14)17(23)21-15(13-20)10-11-26-4/h14-16H,5-12H2,1-4H3,(H,21,23)(H,22,24)/t15-,16-/m0/s1
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>330n/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))		BDBM20114
PNG
(dipeptide-derived nitrile, 35 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C22H25N3O3/c1-22(2,3)28-21(27)25-19(20(26)24-14-13-23)15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19H,14-15H2,1-3H3,(H,24,26)(H,25,27)/t19-/m0/s1
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>330n/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))		BDBM50168951
PNG
(CHEMBL3806324)
Show SMILES CN(CC#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C20H21N3O3/c1-23(13-12-21)19(24)18(14-16-8-4-2-5-9-16)22-20(25)26-15-17-10-6-3-7-11-17/h2-11,18H,13-15H2,1H3,(H,22,25)/t18-/m0/s1
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>330n/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))		BDBM20118
PNG
((2S)-N-(cyanomethyl)-2-acetamido-3-phenylpropanami...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C13H15N3O2/c1-10(17)16-12(13(18)15-8-7-14)9-11-5-3-2-4-6-11/h2-6,12H,8-9H2,1H3,(H,15,18)(H,16,17)/t12-/m0/s1
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>330n/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))		BDBM20107
PNG
(dipeptide-derived nitrile, 28 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H20BrN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-9-8-18)10-11-4-6-12(17)7-5-11/h4-7,13H,9-10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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>330n/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))		BDBM50168954
PNG
(CHEMBL3806165)
Show SMILES O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O2/c25-15-16-26-24(29)22(17-18-7-3-1-4-8-18)27-23(28)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h2,5-6,9-14,18,22H,1,3-4,7-8,16-17H2,(H,26,29)(H,27,28)/t22-/m0/s1
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>330n/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))		BDBM50168955
PNG
(CHEMBL3805682)
Show SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C22H21N5O3S/c23-12-13-24-21(29)22(10-2-1-3-11-22)26-19(28)16-8-6-15(7-9-16)18-25-20(30-27-18)17-5-4-14-31-17/h4-9,14H,1-3,10-11,13H2,(H,24,29)(H,26,28)
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>330n/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))		BDBM50168961
PNG
(CHEMBL3805941)
Show SMILES O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1 |r|
Show InChI InChI=1S/C24H25N5O3S/c25-12-13-26-23(31)19(15-16-5-2-1-3-6-16)27-22(30)18-10-8-17(9-11-18)21-28-24(32-29-21)20-7-4-14-33-20/h4,7-11,14,16,19H,1-3,5-6,13,15H2,(H,26,31)(H,27,30)/t19-/m0/s1
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>330n/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))		BDBM20085
PNG
(dipeptide-derived nitrile, 5 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
Show InChI InChI=1S/C12H21N3O3/c1-8(2)9(10(16)14-7-6-13)15-11(17)18-12(3,4)5/h8-9H,7H2,1-5H3,(H,14,16)(H,15,17)/t9-/m0/s1
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>330n/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))		BDBM20092
PNG
(dipeptide-derived nitrile, 13 | tert-butyl N-[(1S)...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
Show InChI InChI=1S/C13H23N3O3/c1-5-6-7-10(11(17)15-9-8-14)16-12(18)19-13(2,3)4/h10H,5-7,9H2,1-4H3,(H,15,17)(H,16,18)/t10-/m0/s1
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>330n/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))		BDBM50168943
PNG
(CHEMBL3805604)
Show SMILES Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC#N)cc1 |r|
Show InChI InChI=1S/C19H19N3O4/c20-10-11-21-18(24)17(12-14-6-8-16(23)9-7-14)22-19(25)26-13-15-4-2-1-3-5-15/h1-9,17,23H,11-13H2,(H,21,24)(H,22,25)/t17-/m0/s1
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>330n/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))		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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 335n/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))		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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 352n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 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 B


(Homo sapiens (Human))		BDBM50168946
PNG
(CHEMBL3805560)
Show SMILES OC(=O)Cn1cc(C[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C29H25BrN6O4/c30-23-8-4-5-19(13-23)14-26(29(40)32-24(16-31)15-25-17-36(35-34-25)18-27(37)38)33-28(39)22-11-9-21(10-12-22)20-6-2-1-3-7-20/h1-13,17,24,26H,14-15,18H2,(H,32,40)(H,33,39)(H,37,38)/t24-,26-/m0/s1
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 368n/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))		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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 370n/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 K


(Homo sapiens (Human))		BDBM50168945
PNG
(CHEMBL3805060)
Show SMILES OC(=O)CCn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C27H30N6O6/c28-16-22(12-14-38-19-23-17-33(32-31-23)13-11-25(34)35)29-26(36)24(15-20-7-3-1-4-8-20)30-27(37)39-18-21-9-5-2-6-10-21/h1-10,17,22,24H,11-15,18-19H2,(H,29,36)(H,30,37)(H,34,35)/t22-,24-/m0/s1
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 370n/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 B


(Homo sapiens (Human))		BDBM50168947
PNG
(CHEMBL3805261)
Show SMILES OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C31H29BrN6O5/c32-25-8-4-5-21(15-25)16-28(35-30(41)24-11-9-23(10-12-24)22-6-2-1-3-7-22)31(42)34-26(17-33)19-43-20-27-18-38(37-36-27)14-13-29(39)40/h1-12,15,18,26,28H,13-14,16,19-20H2,(H,34,42)(H,35,41)(H,39,40)/t26-,28+/m1/s1
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 420n/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
Procathepsin L


(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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 431n/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 S


(Homo sapiens (Human))		BDBM50168945
PNG
(CHEMBL3805060)
Show SMILES OC(=O)CCn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C27H30N6O6/c28-16-22(12-14-38-19-23-17-33(32-31-23)13-11-25(34)35)29-26(36)24(15-20-7-3-1-4-8-20)30-27(37)39-18-21-9-5-2-6-10-21/h1-10,17,22,24H,11-15,18-19H2,(H,29,36)(H,30,37)(H,34,35)/t22-,24-/m0/s1
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 490n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 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 K


(Homo sapiens (Human))		BDBM50168946
PNG
(CHEMBL3805560)
Show SMILES OC(=O)Cn1cc(C[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C29H25BrN6O4/c30-23-8-4-5-19(13-23)14-26(29(40)32-24(16-31)15-25-17-36(35-34-25)18-27(37)38)33-28(39)22-11-9-21(10-12-22)20-6-2-1-3-7-20/h1-13,17,24,26H,14-15,18H2,(H,32,40)(H,33,39)(H,37,38)/t24-,26-/m0/s1
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 535n/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 K


(Homo sapiens (Human))		BDBM50168942
PNG
(CHEMBL3805078)
Show SMILES OC(=O)Cn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C26H28N6O6/c27-14-21(11-12-37-18-22-15-32(31-30-22)16-24(33)34)28-25(35)23(13-19-7-3-1-4-8-19)29-26(36)38-17-20-9-5-2-6-10-20/h1-10,15,21,23H,11-13,16-18H2,(H,28,35)(H,29,36)(H,33,34)/t21-,23-/m0/s1
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 580n/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
Procathepsin L


(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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 609n/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))		BDBM50168946
PNG
(CHEMBL3805560)
Show SMILES OC(=O)Cn1cc(C[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C29H25BrN6O4/c30-23-8-4-5-19(13-23)14-26(29(40)32-24(16-31)15-25-17-36(35-34-25)18-27(37)38)33-28(39)22-11-9-21(10-12-22)20-6-2-1-3-7-20/h1-13,17,24,26H,14-15,18H2,(H,32,40)(H,33,39)(H,37,38)/t24-,26-/m0/s1
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 707n/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
Procathepsin L


(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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 707n/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 K


(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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 930n/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))		BDBM50168942
PNG
(CHEMBL3805078)
Show SMILES OC(=O)Cn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C26H28N6O6/c27-14-21(11-12-37-18-22-15-32(31-30-22)16-24(33)34)28-25(35)23(13-19-7-3-1-4-8-19)29-26(36)38-17-20-9-5-2-6-10-20/h1-10,15,21,23H,11-13,16-18H2,(H,28,35)(H,29,36)(H,33,34)/t21-,23-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 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
Procathepsin L


(Homo sapiens (Human))		BDBM50168940
PNG
(CHEMBL3806231)
Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C25H26N6O6/c26-12-20(16-36-17-21-13-31(30-29-21)14-23(32)33)27-24(34)22(11-18-7-3-1-4-8-18)28-25(35)37-15-19-9-5-2-6-10-19/h1-10,13,20,22H,11,14-17H2,(H,27,34)(H,28,35)(H,32,33)/t20-,22+/m1/s1
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 1.05E+3n/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))		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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 1.23E+3n/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))		BDBM50168952
PNG
(CHEMBL3805868)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C21H23N3O2/c1-15(2)14-19(21(26)23-13-12-22)24-20(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19H,13-14H2,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1
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 1.79E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B

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))		BDBM50168947
PNG
(CHEMBL3805261)
Show SMILES OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C31H29BrN6O5/c32-25-8-4-5-21(15-25)16-28(35-30(41)24-11-9-23(10-12-24)22-6-2-1-3-7-22)31(42)34-26(17-33)19-43-20-27-18-38(37-36-27)14-13-29(39)40/h1-12,15,18,26,28H,13-14,16,19-20H2,(H,34,42)(H,35,41)(H,39,40)/t26-,28+/m1/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 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
Procathepsin L


(Homo sapiens (Human))		BDBM50168945
PNG
(CHEMBL3805060)
Show SMILES OC(=O)CCn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C27H30N6O6/c28-16-22(12-14-38-19-23-17-33(32-31-23)13-11-25(34)35)29-26(36)24(15-20-7-3-1-4-8-20)30-27(37)39-18-21-9-5-2-6-10-21/h1-10,17,22,24H,11-15,18-19H2,(H,29,36)(H,30,37)(H,34,35)/t22-,24-/m0/s1
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 1.92E+3n/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
Procathepsin L


(Homo sapiens (Human))		BDBM50168942
PNG
(CHEMBL3805078)
Show SMILES OC(=O)Cn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C26H28N6O6/c27-14-21(11-12-37-18-22-15-32(31-30-22)16-24(33)34)28-25(35)23(13-19-7-3-1-4-8-19)29-26(36)38-17-20-9-5-2-6-10-20/h1-10,15,21,23H,11-13,16-18H2,(H,28,35)(H,29,36)(H,33,34)/t21-,23-/m0/s1
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 2.16E+3n/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 S


(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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 2.25E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 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))		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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 2.66E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 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 B


(Homo sapiens (Human))		BDBM20113
PNG
(dipeptide-derived nitrile, 34 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC#N |r|
Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)23-17(18(24)22-11-10-21)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12,17H,11,13H2,1-3H3,(H,22,24)(H,23,25)/t17-/m0/s1
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 3.46E+3n/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))		BDBM50168947
PNG
(CHEMBL3805261)
Show SMILES OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C31H29BrN6O5/c32-25-8-4-5-21(15-25)16-28(35-30(41)24-11-9-23(10-12-24)22-6-2-1-3-7-22)31(42)34-26(17-33)19-43-20-27-18-38(37-36-27)14-13-29(39)40/h1-12,15,18,26,28H,13-14,16,19-20H2,(H,34,42)(H,35,41)(H,39,40)/t26-,28+/m1/s1
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 3.64E+3n/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))		BDBM20120
PNG
((2S)-N-(cyanomethyl)-3-phenyl-2-[(4-phenylphenyl)f...)
Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H21N3O2/c25-15-16-26-24(29)22(17-18-7-3-1-4-8-18)27-23(28)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,22H,16-17H2,(H,26,29)(H,27,28)/t22-/m0/s1
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 3.92E+3n/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))		BDBM50168946
PNG
(CHEMBL3805560)
Show SMILES OC(=O)Cn1cc(C[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C29H25BrN6O4/c30-23-8-4-5-19(13-23)14-26(29(40)32-24(16-31)15-25-17-36(35-34-25)18-27(37)38)33-28(39)22-11-9-21(10-12-22)20-6-2-1-3-7-20/h1-13,17,24,26H,14-15,18H2,(H,32,40)(H,33,39)(H,37,38)/t24-,26-/m0/s1
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 4.23E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 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
Procathepsin L


(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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 4.30E+3n/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 S


(Homo sapiens (Human))		BDBM50168940
PNG
(CHEMBL3806231)
Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C25H26N6O6/c26-12-20(16-36-17-21-13-31(30-29-21)14-23(32)33)27-24(34)22(11-18-7-3-1-4-8-18)28-25(35)37-15-19-9-5-2-6-10-19/h1-10,13,20,22H,11,14-17H2,(H,27,34)(H,28,35)(H,32,33)/t20-,22+/m1/s1
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 4.48E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 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 K


(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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 4.50E+3n/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 B


(Homo sapiens (Human))		BDBM20108
PNG
(dipeptide-derived nitrile, 29 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H20BrN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-8-7-18)10-11-5-4-6-12(17)9-11/h4-6,9,13H,8,10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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 5.17E+3n/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))		BDBM20115
PNG
(dipeptide-derived nitrile, 39 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C22H25N3O3/c1-22(2,3)28-21(27)25-19(20(26)24-13-12-23)15-16-8-7-11-18(14-16)17-9-5-4-6-10-17/h4-11,14,19H,13,15H2,1-3H3,(H,24,26)(H,25,27)/t19-/m0/s1
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 5.35E+3n/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
Procathepsin L


(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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 6.30E+3n/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
Procathepsin L


(Homo sapiens (Human))		BDBM50168947
PNG
(CHEMBL3805261)
Show SMILES OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C31H29BrN6O5/c32-25-8-4-5-21(15-25)16-28(35-30(41)24-11-9-23(10-12-24)22-6-2-1-3-7-22)31(42)34-26(17-33)19-43-20-27-18-38(37-36-27)14-13-29(39)40/h1-12,15,18,26,28H,13-14,16,19-20H2,(H,34,42)(H,35,41)(H,39,40)/t26-,28+/m1/s1
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 6.98E+3n/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))		BDBM50168946
PNG
(CHEMBL3805560)
Show SMILES OC(=O)Cn1cc(C[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C29H25BrN6O4/c30-23-8-4-5-19(13-23)14-26(29(40)32-24(16-31)15-25-17-36(35-34-25)18-27(37)38)33-28(39)22-11-9-21(10-12-22)20-6-2-1-3-7-20/h1-13,17,24,26H,14-15,18H2,(H,32,40)(H,33,39)(H,37,38)/t24-,26-/m0/s1
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 1.12E+4n/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
Procathepsin L


(Homo sapiens (Human))		BDBM50168946
PNG
(CHEMBL3805560)
Show SMILES OC(=O)Cn1cc(C[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C29H25BrN6O4/c30-23-8-4-5-19(13-23)14-26(29(40)32-24(16-31)15-25-17-36(35-34-25)18-27(37)38)33-28(39)22-11-9-21(10-12-22)20-6-2-1-3-7-20/h1-13,17,24,26H,14-15,18H2,(H,32,40)(H,33,39)(H,37,38)/t24-,26-/m0/s1
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 1.17E+4n/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))		BDBM50168940
PNG
(CHEMBL3806231)
Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C25H26N6O6/c26-12-20(16-36-17-21-13-31(30-29-21)14-23(32)33)27-24(34)22(11-18-7-3-1-4-8-18)28-25(35)37-15-19-9-5-2-6-10-19/h1-10,13,20,22H,11,14-17H2,(H,27,34)(H,28,35)(H,32,33)/t20-,22+/m1/s1
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 2.40E+4n/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))		BDBM19768
PNG
(Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H21N3O3/c1-12(2)10-14(15(20)18-9-8-17)19-16(21)22-11-13-6-4-3-5-7-13/h3-7,12,14H,9-11H2,1-2H3,(H,18,20)(H,19,21)/t14-/m0/s1
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 3.20E+4n/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))		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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 3.30E+4n/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))		BDBM20095
PNG
(dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H21N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h4-8,13H,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
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PubMed
 3.70E+4n/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))		BDBM20087
PNG
(dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1
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 9.40E+4n/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))		BDBM50168942
PNG
(CHEMBL3805078)
Show SMILES OC(=O)Cn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C26H28N6O6/c27-14-21(11-12-37-18-22-15-32(31-30-22)16-24(33)34)28-25(35)23(13-19-7-3-1-4-8-19)29-26(36)38-17-20-9-5-2-6-10-20/h1-10,15,21,23H,11-13,16-18H2,(H,28,35)(H,29,36)(H,33,34)/t21-,23-/m0/s1
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 1.01E+5n/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))		BDBM50168945
PNG
(CHEMBL3805060)
Show SMILES OC(=O)CCn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Show InChI InChI=1S/C27H30N6O6/c28-16-22(12-14-38-19-23-17-33(32-31-23)13-11-25(34)35)29-26(36)24(15-20-7-3-1-4-8-20)30-27(37)39-18-21-9-5-2-6-10-21/h1-10,17,22,24H,11-15,18-19H2,(H,29,36)(H,30,37)(H,34,35)/t22-,24-/m0/s1
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 1.96E+5n/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
* indicates data uncertainty>20%