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Compile Data Set for Download or QSAR

Found 1862 hits Enz. Inhib. hit(s) with Target = 'Cathepsin (B and K)' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin (B and K)


(Homo sapiens)
BDBM50167289
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...)
Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N
Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1
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0.0770n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Phe-Arg-AMC


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50042414
PNG
(CHEMBL119622 | {3-Methyl-1-[1-(3-phenyl-propylamin...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C28H37N3O5/c1-4-23(25(32)27(34)29-17-11-16-21-12-7-5-8-13-21)30-26(33)24(18-20(2)3)31-28(35)36-19-22-14-9-6-10-15-22/h5-10,12-15,20,23-24H,4,11,16-19H2,1-3H3,(H,29,34)(H,30,33)(H,31,35)
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0.200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053797
PNG
(CHEMBL132839 | {3-Methyl-1-[1-(2-pyridin-2-yl-ethy...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C26H34N4O5/c1-4-21(23(31)25(33)28-15-13-20-12-8-9-14-27-20)29-24(32)22(16-18(2)3)30-26(34)35-17-19-10-6-5-7-11-19/h5-12,14,18,21-22H,4,13,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)
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0.200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50167288
PNG
((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...)
Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N
Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Phe-Arg-AMC


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053859
PNG
(CHEMBL133106 | {1-[1-(5-Hydroxy-pentylaminooxalyl)...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCCO
Show InChI InChI=1S/C24H37N3O6/c1-4-19(21(29)23(31)25-13-9-6-10-14-28)26-22(30)20(15-17(2)3)27-24(32)33-16-18-11-7-5-8-12-18/h5,7-8,11-12,17,19-20,28H,4,6,9-10,13-16H2,1-3H3,(H,25,31)(H,26,30)(H,27,32)
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0.280n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053832
PNG
(CHEMBL422260 | {1-[1-(Isoquinolin-1-ylmethyl)-amin...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nccc2ccccc12
Show InChI InChI=1S/C29H34N4O5/c1-4-23(26(34)28(36)31-17-25-22-13-9-8-12-21(22)14-15-30-25)32-27(35)24(16-19(2)3)33-29(37)38-18-20-10-6-5-7-11-20/h5-15,19,23-24H,4,16-18H2,1-3H3,(H,31,36)(H,32,35)(H,33,37)
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0.300n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053817
PNG
((1-{1-[2-(3-Methoxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccc(OC)c1
Show InChI InChI=1S/C28H37N3O6/c1-5-23(25(32)27(34)29-15-14-20-12-9-13-22(17-20)36-4)30-26(33)24(16-19(2)3)31-28(35)37-18-21-10-7-6-8-11-21/h6-13,17,19,23-24H,5,14-16,18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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0.310n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053793
PNG
((1-{1-Benzyl-2-oxo-2-[(quinolin-2-ylmethyl)-carbam...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1
Show InChI InChI=1S/C34H36N4O5/c1-23(2)19-30(38-34(42)43-22-25-13-7-4-8-14-25)32(40)37-29(20-24-11-5-3-6-12-24)31(39)33(41)35-21-27-18-17-26-15-9-10-16-28(26)36-27/h3-18,23,29-30H,19-22H2,1-2H3,(H,35,41)(H,37,40)(H,38,42)
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0.340n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053827
PNG
(3-[4-Methyl-2-(2-naphthalen-1-yl-acetylamino)-pent...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C25H33N3O4/c1-5-20(23(30)25(32)26-6-2)28-24(31)21(14-16(3)4)27-22(29)15-18-12-9-11-17-10-7-8-13-19(17)18/h7-13,16,20-21H,5-6,14-15H2,1-4H3,(H,26,32)(H,27,29)(H,28,31)
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0.350n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50335289
PNG
(CHEMBL1651361 | 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)N(C)N(C)C#N
Show InChI InChI=1S/C22H24N6O3S/c1-14(2)12-17(22(30)28(4)27(3)13-23)24-20(29)16-9-7-15(8-10-16)19-25-21(31-26-19)18-6-5-11-32-18/h5-11,14,17H,12H2,1-4H3,(H,24,29)/t17-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053850
PNG
(CHEMBL130506 | {1-[1-(2-Hydroxy-2-phenyl-ethylamin...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
Show InChI InChI=1S/C27H35N3O6/c1-4-21(24(32)26(34)28-16-23(31)20-13-9-6-10-14-20)29-25(33)22(15-18(2)3)30-27(35)36-17-19-11-7-5-8-12-19/h5-14,18,21-23,31H,4,15-17H2,1-3H3,(H,28,34)(H,29,33)(H,30,35)
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0.370n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50335279
PNG
(CHEMBL1651353 | N-(Benzyloxycarbonyl)-tyrosyl-meth...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O4/c1-23(14-21)24(2)19(26)18(12-15-8-10-17(25)11-9-15)22-20(27)28-13-16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3,(H,22,27)/t18-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50030745
PNG
(CHEMBL3342185)
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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50304794
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-13(2)10-15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,23)/t15-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053838
PNG
((1-{1-[2-(4-Methoxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccc(OC)cc1
Show InChI InChI=1S/C28H37N3O6/c1-5-23(25(32)27(34)29-16-15-20-11-13-22(36-4)14-12-20)30-26(33)24(17-19(2)3)31-28(35)37-18-21-9-7-6-8-10-21/h6-14,19,23-24H,5,15-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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0.440n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50030746
PNG
(CHEMBL3342184)
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


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50335278
PNG
(CHEMBL1651352 | N-(Benzyloxycarbonyl)-cyclohexylal...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H28N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h4,7-8,11-12,16,18H,3,5-6,9-10,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
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0.480n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053840
PNG
((1-{1-[2-(2-Methoxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1OC
Show InChI InChI=1S/C28H37N3O6/c1-5-22(25(32)27(34)29-16-15-21-13-9-10-14-24(21)36-4)30-26(33)23(17-19(2)3)31-28(35)37-18-20-11-7-6-8-12-20/h6-14,19,22-23H,5,15-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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0.630n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50335280
PNG
(CHEMBL1651354 | N-(Benzylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H25N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H2,19,20,24)/t15-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50304793
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
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0.680n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053822
PNG
(CHEMBL132586 | {3-Methyl-1-[1-(pyridin-2-ylmethyl)...)
Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1
Show InChI InChI=1S/C26H34N4O5/c1-4-10-21(23(31)25(33)28-16-20-13-8-9-14-27-20)29-24(32)22(15-18(2)3)30-26(34)35-17-19-11-6-5-7-12-19/h5-9,11-14,18,21-22H,4,10,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)
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0.75n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053843
PNG
((1-{1-Benzyl-2-oxo-2-[(pyridin-2-ylmethyl)-carbamo...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1
Show InChI InChI=1S/C30H34N4O5/c1-21(2)17-26(34-30(38)39-20-23-13-7-4-8-14-23)28(36)33-25(18-22-11-5-3-6-12-22)27(35)29(37)32-19-24-15-9-10-16-31-24/h3-16,21,25-26H,17-20H2,1-2H3,(H,32,37)(H,33,36)(H,34,38)
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0.800n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50335277
PNG
(CHEMBL1651351 | N-(Benzyloxycarbonyl)-isoleucyl-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-5-13(2)15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11H2,1-4H3,(H,19,23)/t13-,15-/m0/s1
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0.880n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053856
PNG
(CHEMBL131781 | {1-[1-(5-Hydroxy-1,3,3-trimethyl-cy...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1(C)CC(O)CC(C)(C)C1
Show InChI InChI=1S/C29H45N3O6/c1-7-22(24(34)26(36)30-18-29(6)15-21(33)14-28(4,5)17-29)31-25(35)23(13-19(2)3)32-27(37)38-16-20-11-9-8-10-12-20/h8-12,19,21-23,33H,7,13-18H2,1-6H3,(H,30,36)(H,31,35)(H,32,37)
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0.890n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50290289
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-4-methyl-pentanoyl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C20H37N3O5/c1-7-8-9-15(20(27)28)22-19(26)17(11-13(4)5)23-18(25)16(10-12(2)3)21-14(6)24/h12-13,15-17H,7-11H2,1-6H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28)/t15-,16-,17-/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of the compound for the inhibition of human cathepsin B was determined


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053863
PNG
((3-Methyl-1-{1-[2-(1-methyl-1H-pyrrol-2-yl)-ethyla...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccn1C
Show InChI InChI=1S/C26H36N4O5/c1-5-21(23(31)25(33)27-14-13-20-12-9-15-30(20)4)28-24(32)22(16-18(2)3)29-26(34)35-17-19-10-7-6-8-11-19/h6-12,15,18,21-22H,5,13-14,16-17H2,1-4H3,(H,27,33)(H,28,32)(H,29,34)
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1.20n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053828
PNG
(CHEMBL439798 | {3-Methyl-1-[1-(pyridin-3-ylmethyl)...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C25H32N4O5/c1-4-20(22(30)24(32)27-15-19-11-8-12-26-14-19)28-23(31)21(13-17(2)3)29-25(33)34-16-18-9-6-5-7-10-18/h5-12,14,17,20-21H,4,13,15-16H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)
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1.20n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50042395
PNG
(CHEMBL117336 | [3-Methyl-1-(1-phenethylaminooxalyl...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H35N3O5/c1-4-22(24(31)26(33)28-16-15-20-11-7-5-8-12-20)29-25(32)23(17-19(2)3)30-27(34)35-18-21-13-9-6-10-14-21/h5-14,19,22-23H,4,15-18H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)
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1.30n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50335281
PNG
(CHEMBL1651355 | N-(Phenylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H23N5O2/c1-12(2)10-14(15(22)21(4)20(3)11-17)19-16(23)18-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H2,18,19,23)/t14-/m0/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 recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50167290
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isopropy...)
Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)C(C)C
Show InChI InChI=1S/C14H25N3O2/c1-11(2)17(10-15)16-14(18)19-12(3)9-13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Phe-Arg-AMC


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50335283
PNG
(CHEMBL1651357 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H27N7O3S/c1-15(2)12-18(22(31)30(4)29(3)14-24)26-23(32)25-13-16-7-9-17(10-8-16)20-27-21(33-28-20)19-6-5-11-34-19/h5-11,15,18H,12-13H2,1-4H3,(H2,25,26,32)/t18-/m0/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 recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50137733
PNG
((1S,5S,6R)-2-((S)-3,3-Dimethyl-2-{(S)-3-methyl-2-[...)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C33H49N7O6/c1-7-9-22(26(41)31(45)36-20-12-13-20)37-30(44)25-21-11-8-10-19(21)17-40(25)32(46)27(33(4,5)6)39-29(43)24(18(2)3)38-28(42)23-16-34-14-15-35-23/h14-16,18-22,24-25,27H,7-13,17H2,1-6H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t19-,21-,22-,24-,25-,27+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against cathepsin B


Bioorg Med Chem Lett 14: 257-61 (2003)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053794
PNG
(CHEMBL335293 | {1-[1-(3,5-Dimethoxy-benzylaminooxa...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H37N3O7/c1-6-23(25(32)27(34)29-16-20-13-21(36-4)15-22(14-20)37-5)30-26(33)24(12-18(2)3)31-28(35)38-17-19-10-8-7-9-11-19/h7-11,13-15,18,23-24H,6,12,16-17H2,1-5H3,(H,29,34)(H,30,33)(H,31,35)
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1.80n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053816
PNG
(CHEMBL134508 | {3-Methyl-1-[1-(3-pyrrolidin-1-yl-p...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C26H40N4O5/c1-4-21(23(31)25(33)27-13-10-16-30-14-8-9-15-30)28-24(32)22(17-19(2)3)29-26(34)35-18-20-11-6-5-7-12-20/h5-7,11-12,19,21-22H,4,8-10,13-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)
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2n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93204
PNG
(Mercaptomethyl ketone Inhibitor, 53)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)CSCC(O)=O
Show InChI InChI=1S/C26H33N3O7S/c27-13-5-4-8-21(23(31)16-37-17-24(32)33)28-25(34)22(14-18-9-11-20(30)12-10-18)29-26(35)36-15-19-6-2-1-3-7-19/h1-3,6-7,9-12,21-22,30H,4-5,8,13-17,27H2,(H,28,34)(H,29,35)(H,32,33)/t21-,22-/m0/s1
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2n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50374367
PNG
(CHEMBL271004)
Show SMILES CCCC[C@H](NC(=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C27H32N4O7/c1-4-5-12-19(23(33)26-31-30-25(38-26)21-13-9-14-36-21)28-24(34)22(32)20(15-17(2)3)29-27(35)37-16-18-10-7-6-8-11-18/h6-11,13-14,17,19-20H,4-5,12,15-16H2,1-3H3,(H,28,34)(H,29,35)/t19-,20-/m0/s1
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2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50410979
PNG
(CHEMBL207347)
Show SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)C(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C25H29N3O6/c1-4-9-19(21(29)24-28-27-23(34-24)20-12-8-13-32-20)26-22(30)18(14-16(2)3)25(31)33-15-17-10-6-5-7-11-17/h5-8,10-13,16,18-19H,4,9,14-15H2,1-3H3,(H,26,30)/t18-,19-/m0/s1
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2n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50042427
PNG
(CHEMBL118025 | [1-(1-Benzylaminooxalyl-propylcarba...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H33N3O5/c1-4-21(23(30)25(32)27-16-19-11-7-5-8-12-19)28-24(31)22(15-18(2)3)29-26(33)34-17-20-13-9-6-10-14-20/h5-14,18,21-22H,4,15-17H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)
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2n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053837
PNG
((1-{1-[2-(2-Hydroxy-ethoxy)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCOCCO
Show InChI InChI=1S/C23H35N3O7/c1-4-18(20(28)22(30)24-10-12-32-13-11-27)25-21(29)19(14-16(2)3)26-23(31)33-15-17-8-6-5-7-9-17/h5-9,16,18-19,27H,4,10-15H2,1-3H3,(H,24,30)(H,25,29)(H,26,31)
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2n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053829
PNG
(CHEMBL134179 | {1-[1-Benzyl-2-(2-hydroxy-2-phenyl-...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
Show InChI InChI=1S/C32H37N3O6/c1-22(2)18-27(35-32(40)41-21-24-14-8-4-9-15-24)30(38)34-26(19-23-12-6-3-7-13-23)29(37)31(39)33-20-28(36)25-16-10-5-11-17-25/h3-17,22,26-28,36H,18-21H2,1-2H3,(H,33,39)(H,34,38)(H,35,40)
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2.10n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053842
PNG
(2-Diphenylacetylamino-4-methyl-pentanoic acid {1-b...)
Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1
Show InChI InChI=1S/C36H38N4O4/c1-25(2)22-31(40-35(43)32(27-16-8-4-9-17-27)28-18-10-5-11-19-28)34(42)39-30(23-26-14-6-3-7-15-26)33(41)36(44)38-24-29-20-12-13-21-37-29/h3-21,25,30-32H,22-24H2,1-2H3,(H,38,44)(H,39,42)(H,40,43)
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2.20n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053795
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C32H44N4O5/c1-4-26(29(37)32(40)33-16-11-17-36-18-20-41-21-19-36)34-30(38)27(22-23(2)3)35-31(39)28(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-10,12-15,23,26-28H,4,11,16-22H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)
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2.30n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50042386
PNG
(CHEMBL325147 | [1-(1-Ethylaminooxalyl-propylcarbam...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C21H31N3O5/c1-5-16(18(25)20(27)22-6-2)23-19(26)17(12-14(3)4)24-21(28)29-13-15-10-8-7-9-11-15/h7-11,14,16-17H,5-6,12-13H2,1-4H3,(H,22,27)(H,23,26)(H,24,28)
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2.40n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50335284
PNG
(CHEMBL1651349 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C19H25N7O3/c1-12(2)10-16(18(27)26(5)25(4)11-20)23-19(28)22-15-8-6-14(7-9-15)17-21-13(3)29-24-17/h6-9,12,16H,10H2,1-5H3,(H2,22,23,28)/t16-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50335285
PNG
(CHEMBL1651350 | 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)N(C)N(C)C#N
Show InChI InChI=1S/C22H25N7O3S/c1-14(2)12-17(21(30)29(4)28(3)13-23)25-22(31)24-16-9-7-15(8-10-16)19-26-20(32-27-19)18-6-5-11-33-18/h5-11,14,17H,12H2,1-4H3,(H2,24,25,31)/t17-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053796
PNG
(CHEMBL130107 | {3-Methyl-1-[1-(2-morpholin-4-yl-et...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C25H38N4O6/c1-4-20(22(30)24(32)26-10-11-29-12-14-34-15-13-29)27-23(31)21(16-18(2)3)28-25(33)35-17-19-8-6-5-7-9-19/h5-9,18,20-21H,4,10-17H2,1-3H3,(H,26,32)(H,27,31)(H,28,33)
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2.5n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053855
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1
Show InChI InChI=1S/C31H36N4O4/c1-4-25(28(36)31(39)33-20-24-17-11-12-18-32-24)34-29(37)26(19-21(2)3)35-30(38)27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,21,25-27H,4,19-20H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)
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2.80n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50335282
PNG
(CHEMBL1651356 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C20H27N7O3/c1-13(2)10-17(19(28)27(5)26(4)12-21)24-20(29)22-11-15-6-8-16(9-7-15)18-23-14(3)30-25-18/h6-9,13,17H,10-11H2,1-5H3,(H2,22,24,29)/t17-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053809
PNG
(CHEMBL130114 | {3-Methyl-1-[1-(pyridin-2-ylmethyl)...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1
Show InChI InChI=1S/C25H32N4O5/c1-4-20(22(30)24(32)27-15-19-12-8-9-13-26-19)28-23(31)21(14-17(2)3)29-25(33)34-16-18-10-6-5-7-11-18/h5-13,17,20-21H,4,14-16H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)
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3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50042419
PNG
(CHEMBL116477 | [1-(1-Benzyl-2-oxo-2-propylcarbamoy...)
Show SMILES CCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H35N3O5/c1-4-15-28-26(33)24(31)22(17-20-11-7-5-8-12-20)29-25(32)23(16-19(2)3)30-27(34)35-18-21-13-9-6-10-14-21/h5-14,19,22-23H,4,15-18H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)
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3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
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