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Compile Data Set for Download or QSAR

Found 1969 hits Enz. Inhib. hit(s) with Target = 'Cathepsin (B and K)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin (B and K)


(Homo sapiens)
BDBM19854
PNG
(CHEMBL426819 | CRA-013783/L-006235 | N-{1-[(cyanom...)
Show SMILES CN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C24H30N6O2S/c1-29-13-15-30(16-14-29)23-27-20(17-33-23)18-5-7-19(8-6-18)21(31)28-24(9-3-2-4-10-24)22(32)26-12-11-25/h5-8,17H,2-4,9-10,12-16H2,1H3,(H,26,32)(H,28,31)
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PubMed
n/an/a 1.10E+3n/a 17n/an/a6.022



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM19855
PNG
(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
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n/an/a 4.80E+3n/a 61n/an/a6.022



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50391540
PNG
(CHEMBL2147469)
Show SMILES C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N[C@H](CO)CCCN=C(N)N
Show InChI InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22-,25+,26-,27+/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B using Z-Phe-Arg-MCA as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by fluorimetric a...


J Nat Prod 75: 1546-52 (2012)


Article DOI: 10.1021/np300282a
BindingDB Entry DOI: 10.7270/Q2Z03979
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50391541
PNG
(CHEMBL2147467)
Show SMILES C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CCCCN)C(O)=O
Show InChI InChI=1S/C32H44N4O8/c1-20-17-27(31(42)35(2)26(32(43)44)5-3-4-16-33)36(19-20)30(41)25(15-10-21-6-11-23(37)12-7-21)34-29(40)28(39)18-22-8-13-24(38)14-9-22/h6-9,11-14,20,25-28,37-39H,3-5,10,15-19,33H2,1-2H3,(H,34,40)(H,43,44)/t20-,25+,26+,27-,28+/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B using Z-Phe-Arg-MCA as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by fluorimetric a...


J Nat Prod 75: 1546-52 (2012)


Article DOI: 10.1021/np300282a
BindingDB Entry DOI: 10.7270/Q2Z03979
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM19859
PNG
((2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformami...)
Show SMILES O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H23N3O2/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/h2,5-6,9-10,14,16H,1,3-4,7-8,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1
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n/an/a 1.90E+4n/a 940n/an/a6.022



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM19857
PNG
(N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(mor...)
Show SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C23H27N5O3S/c24-10-11-25-21(30)23(8-2-1-3-9-23)27-20(29)18-6-4-17(5-7-18)19-16-32-22(26-19)28-12-14-31-15-13-28/h4-7,16H,1-3,8-9,11-15H2,(H,25,30)(H,27,29)
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n/an/a 4.20E+3n/a 2.90E+3n/an/a6.022



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM19856
PNG
((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H30N4O/c1-18(2)16-23(24(29)27-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)28-14-12-26-13-15-28/h3-9,17-18,23,26H,11-16H2,1-2H3,(H,27,29)/t23-/m1/s1
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n/an/a 8.60E+4n/a 4.40E+3n/an/a6.022



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM19858
PNG
(N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(morpho...)
Show SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C20H26N4O3/c21-10-11-22-19(26)20(8-2-1-3-9-20)23-18(25)16-4-6-17(7-5-16)24-12-14-27-15-13-24/h4-7H,1-3,8-9,11-15H2,(H,22,26)(H,23,25)
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n/an/a 1.54E+4n/a 4.40E+3n/an/a6.022



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
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


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50284944
PNG
(((S)-1-(S)-Oxiranyl-2-phenyl-ethyl)-carbamic acid ...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)[C@H]1CO1)OCc1ccccc1
Show InChI InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17+/m0/s1
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0.0870n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic parameter (Ki 1/min) was evaluated for the inactivation of cathepsin B


Bioorg Med Chem Lett 5: 1767-1772 (1995)


Article DOI: 10.1016/0960-894X(95)00312-H
BindingDB Entry DOI: 10.7270/Q2MW2H4X
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 54: 396-400 (2011)


Article DOI: 10.1021/jm101272p
BindingDB Entry DOI: 10.7270/Q2PV6MC3
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 54: 396-400 (2011)


Article DOI: 10.1021/jm101272p
BindingDB Entry DOI: 10.7270/Q2PV6MC3
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


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


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


J Med Chem 54: 396-400 (2011)


Article DOI: 10.1021/jm101272p
BindingDB Entry DOI: 10.7270/Q2PV6MC3
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


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


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


J Med Chem 54: 396-400 (2011)


Article DOI: 10.1021/jm101272p
BindingDB Entry DOI: 10.7270/Q2PV6MC3
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 54: 396-400 (2011)


Article DOI: 10.1021/jm101272p
BindingDB Entry DOI: 10.7270/Q2PV6MC3
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


J Med Chem 54: 396-400 (2011)


Article DOI: 10.1021/jm101272p
BindingDB Entry DOI: 10.7270/Q2PV6MC3
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 54: 396-400 (2011)


Article DOI: 10.1021/jm101272p
BindingDB Entry DOI: 10.7270/Q2PV6MC3
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


Bioorg Med Chem Lett 7: 2507-2512 (1997)


Article DOI: 10.1016/S0960-894X(97)10004-X
BindingDB Entry DOI: 10.7270/Q28K793P
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 54: 396-400 (2011)


Article DOI: 10.1021/jm101272p
BindingDB Entry DOI: 10.7270/Q2PV6MC3
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


J Med Chem 54: 396-400 (2011)


Article DOI: 10.1021/jm101272p
BindingDB Entry DOI: 10.7270/Q2PV6MC3
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
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)


Article DOI: 10.1016/j.bmcl.2003.09.075
BindingDB Entry DOI: 10.7270/Q20P0ZDG
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
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


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
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


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair
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