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Compile Data Set for Download or QSAR

Found 1262 hits of ic50 data for polymerid = 4252   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin (B and K)


(Homo sapiens)
BDBM50201701
PNG
(CHEMBL390474 | cis-4-(2,3-dimethylphenoxy)-6-oxa-1...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM16510
PNG
((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O
Show InChI InChI=1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-,12-/m0/s1
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PCBioAssay
n/an/a 1.53n/an/an/an/a6.823



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25T3HTJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50107633
PNG
(3-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C35H33N3O5/c1-24-10-8-11-25(18-24)20-31(38-34(40)32(27-13-4-2-5-14-27)28-15-6-3-7-16-28)33(39)37-30(21-36)23-43-22-26-12-9-17-29(19-26)35(41)42/h2-19,30-32H,20,22-23H2,1H3,(H,37,39)(H,38,40)(H,41,42)/t30-,31+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50201705
PNG
((1R,2S)-2-(benzyloxy)-7-oxa-5-aza-bicyclo[3.2.1]oc...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2OCc1ccccc1
Show InChI InChI=1S/C13H15NO3/c15-13-14-7-6-11(12(8-14)17-13)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50107639
PNG
(3-{2-[2-(4-Chloro-2-fluoro-benzoylamino)-3-m-tolyl...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C28H25ClFN3O5/c1-17-4-2-5-18(10-17)12-25(33-26(34)23-9-8-21(29)13-24(23)30)27(35)32-22(14-31)16-38-15-19-6-3-7-20(11-19)28(36)37/h2-11,13,22,25H,12,15-16H2,1H3,(H,32,35)(H,33,34)(H,36,37)/t22-,25+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50163831
PNG
((2S)-1-cyclohexylpropan-2-yl 1-cyanoazetidine-2-ca...)
Show SMILES C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N
Show InChI InChI=1S/C14H22N2O2/c1-11(9-12-5-3-2-4-6-12)18-14(17)13-7-8-16(13)10-15/h11-13H,2-9H2,1H3/t11-,13?/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin B using 10 uM Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 1815-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.033
BindingDB Entry DOI: 10.7270/Q2DR2V1G
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50250153
PNG
(3-acetyl-2-(4-tert-butylphenylamino)-8-chloro-6-ni...)
Show SMILES CC(=O)c1c(Nc2ccc(cc2)C(C)(C)C)nc2c(Cl)cc(cc2c1O)[N+]([O-])=O
Show InChI InChI=1S/C21H20ClN3O4/c1-11(26)17-19(27)15-9-14(25(28)29)10-16(22)18(15)24-20(17)23-13-7-5-12(6-8-13)21(2,3)4/h5-10H,1-4H3,(H2,23,24,27)
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n/an/a 3.11n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 30 mins by fluorometric end-point assay


J Med Chem 52: 3093-7 (2009)


Article DOI: 10.1021/jm8014734
BindingDB Entry DOI: 10.7270/Q2KK9CQ4
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135541
PNG
(5-{(R)-2-Cyano-2-[(S)-2-(3-oxo-1,3-dihydro-isobenz...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C29H26FN3O6/c1-17-3-2-4-18(9-17)11-26(32-21-7-6-20-15-39-29(37)23(20)12-21)27(34)33-22(13-31)16-38-14-19-5-8-25(30)24(10-19)28(35)36/h2-10,12,22,26,32H,11,14-16H2,1H3,(H,33,34)(H,35,36)/t22-,26+/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM16509
PNG
((2S)-1-[(2S,3S)-3-methyl-2-{[(2S,3S)-3-(propylcarb...)
Show SMILES CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H29N3O6/c1-4-8-19-15(22)13-14(27-13)16(23)20-12(10(3)5-2)17(24)21-9-6-7-11(21)18(25)26/h10-14H,4-9H2,1-3H3,(H,19,22)(H,20,23)(H,25,26)/t10-,11-,12-,13-,14-/m0/s1
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n/an/a 4.40n/an/an/an/a5.537



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
BindingDB Entry DOI: 10.7270/Q2NP233R
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135543
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(2-methyl-1,3-dioxo-2,3-di...)
Show SMILES CN1C(=O)c2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O
Show InChI InChI=1S/C30H28N4O6/c1-18-5-3-6-19(11-18)13-26(32-22-9-10-24-25(14-22)29(37)34(2)28(24)36)27(35)33-23(15-31)17-40-16-20-7-4-8-21(12-20)30(38)39/h3-12,14,23,26,32H,13,16-17H2,1-2H3,(H,33,35)(H,38,39)/t23-,26+/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B was determined


Bioorg Med Chem Lett 9: 3397-402 (1999)


Article DOI: 10.1016/s0960-894x(99)00618-6
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50107633
PNG
(3-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C35H33N3O5/c1-24-10-8-11-25(18-24)20-31(38-34(40)32(27-13-4-2-5-14-27)28-15-6-3-7-16-28)33(39)37-30(21-36)23-43-22-26-12-9-17-29(19-26)35(41)42/h2-19,30-32H,20,22-23H2,1H3,(H,37,39)(H,38,40)(H,41,42)/t30-,31+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135533
PNG
((S)-N-[(R)-Cyano-(3-tetrazol-1-yl-benzyloxymethyl)...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)-n2cnnn2)C#N)c1
Show InChI InChI=1S/C29H27N7O4/c1-19-4-2-5-20(10-19)12-27(32-23-9-8-22-16-40-29(38)26(22)13-23)28(37)33-24(14-30)17-39-15-21-6-3-7-25(11-21)36-18-31-34-35-36/h2-11,13,18,24,27,32H,12,15-17H2,1H3,(H,33,37)/t24-,27+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50201700
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135537
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(3-oxo-indan-5-ylamino)-3-...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3CCC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C30H29N3O5/c1-19-4-2-5-20(12-19)14-27(32-24-10-8-22-9-11-28(34)26(22)15-24)29(35)33-25(16-31)18-38-17-21-6-3-7-23(13-21)30(36)37/h2-8,10,12-13,15,25,27,32H,9,11,14,17-18H2,1H3,(H,33,35)(H,36,37)/t25-,27+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135535
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(1,1-dimethyl-3-oxo-1,3-di...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3(C)C)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C31H31N3O6/c1-19-6-4-7-20(12-19)14-27(33-23-10-11-26-25(15-23)30(38)40-31(26,2)3)28(35)34-24(16-32)18-39-17-21-8-5-9-22(13-21)29(36)37/h4-13,15,24,27,33H,14,17-18H2,1-3H3,(H,34,35)(H,36,37)/t24-,27+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50107646
PNG
(3-[4-Cyano-4-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CC#Cc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C36H31N3O4/c1-25-11-8-14-27(21-25)23-32(39-35(41)33(28-15-4-2-5-16-28)29-17-6-3-7-18-29)34(40)38-31(24-37)20-10-13-26-12-9-19-30(22-26)36(42)43/h2-9,11-12,14-19,21-22,31-33H,20,23H2,1H3,(H,38,40)(H,39,41)(H,42,43)/t31-,32-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135546
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(3-oxo-1,3-dihydro-isobenz...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C29H27N3O6/c1-18-4-2-5-19(10-18)12-26(31-23-9-8-22-16-38-29(36)25(22)13-23)27(33)32-24(14-30)17-37-15-20-6-3-7-21(11-20)28(34)35/h2-11,13,24,26,31H,12,15-17H2,1H3,(H,32,33)(H,34,35)/t24-,26+/m1/s1
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n/an/a 6.5n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50107626
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C28H25F2N3O5/c1-17-4-2-5-18(10-17)12-25(33-26(34)23-9-8-21(29)13-24(23)30)27(35)32-22(14-31)16-38-15-19-6-3-7-20(11-19)28(36)37/h2-11,13,22,25H,12,15-16H2,1H3,(H,32,35)(H,33,34)(H,36,37)/t22-,25+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50201699
PNG
((1R,2S)-2-isobutoxy-7-oxa-5-aza-bicyclo[3.2.1]octa...)
Show SMILES CC(C)CO[C@H]1CCN2C[C@H]1OC2=O
Show InChI InChI=1S/C10H17NO3/c1-7(2)6-13-8-3-4-11-5-9(8)14-10(11)12/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135532
PNG
(3-{2-cyano-2-[1-(3-methyloxycarbonylanilino)-2-(3-...)
Show SMILES COC(=O)c1cccc(N[C@@H](Cc2cccc(C)c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C29H29N3O6/c1-19-6-3-7-20(12-19)14-26(31-24-11-5-10-23(15-24)29(36)37-2)27(33)32-25(16-30)18-38-17-21-8-4-9-22(13-21)28(34)35/h3-13,15,25-26,31H,14,17-18H2,1-2H3,(H,32,33)(H,34,35)/t25-,26+/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135544
PNG
(2-Chloro-5-[(R)-2-cyano-2-((S)-2-phenylamino-3-m-t...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(Cl)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H26ClN3O4/c1-18-6-5-7-19(12-18)14-25(30-21-8-3-2-4-9-21)26(32)31-22(15-29)17-35-16-20-10-11-24(28)23(13-20)27(33)34/h2-13,22,25,30H,14,16-17H2,1H3,(H,31,32)(H,33,34)/t22-,25+/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50331787
PNG
((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N
Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27-,28-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat B in HepG2 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.015
BindingDB Entry DOI: 10.7270/Q29S1R8D
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50213272
PNG
(CHEBI:6426 | LEUPEPTIN | Leupeptin)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1
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n/an/a 9.20n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B was determined


Bioorg Med Chem Lett 9: 3397-402 (1999)


Article DOI: 10.1016/s0960-894x(99)00618-6
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135547
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(2-methyl-3-oxo-2,3-dihydr...)
Show SMILES CN1Cc2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O
Show InChI InChI=1S/C30H30N4O5/c1-19-5-3-6-20(11-19)13-27(32-24-10-9-23-16-34(2)29(36)26(23)14-24)28(35)33-25(15-31)18-39-17-21-7-4-8-22(12-21)30(37)38/h3-12,14,25,27,32H,13,16-18H2,1-2H3,(H,33,35)(H,37,38)/t25-,27+/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50107620
PNG
(3-[2-(2-Benzoylamino-3-m-tolyl-propionylamino)-2-c...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C28H27N3O5/c1-19-7-5-8-20(13-19)15-25(31-26(32)22-10-3-2-4-11-22)27(33)30-24(16-29)18-36-17-21-9-6-12-23(14-21)28(34)35/h2-14,24-25H,15,17-18H2,1H3,(H,30,33)(H,31,32)(H,34,35)/t24-,25+/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


J Med Chem 41: 4301-8 (1998)


Article DOI: 10.1021/jm9803065
BindingDB Entry DOI: 10.7270/Q2VQ33CX
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 10 mins


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50107638
PNG
(CHEMBL336436 | N-(Benzyloxymethyl-cyano-methyl)-2-...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Show InChI InChI=1S/C34H33N3O3/c1-25-12-11-15-27(20-25)21-31(33(38)36-30(22-35)24-40-23-26-13-5-2-6-14-26)37-34(39)32(28-16-7-3-8-17-28)29-18-9-4-10-19-29/h2-20,30-32H,21,23-24H2,1H3,(H,36,38)(H,37,39)/t30-,31+/m1/s1
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n/an/a 10.2n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50252525
PNG
(CHEMBL493039 | benzyl 1-(2-cyanopiperazin-1-yl)-3-...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCCCN1C#N
Show InChI InChI=1S/C18H24N4O3/c1-14(2)16(17(23)22-11-7-6-10-21(22)13-19)20-18(24)25-12-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3,(H,20,24)
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n/an/a 11n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B


Bioorg Med Chem Lett 18: 3988-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50107650
PNG
(CHEMBL138661 | N-Cyanomethyl-3-(3,5-dimethyl-pheny...)
Show SMILES Cc1cc(C)cc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C27H27N3O2/c1-19-15-20(2)17-21(16-19)18-24(26(31)29-14-13-28)30-27(32)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-17,24-25H,14,18H2,1-2H3,(H,29,31)(H,30,32)/t24-/m0/s1
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n/an/a 11.9n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135534
PNG
(5-[(R)-2-Cyano-2-((S)-2-phenylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H26FN3O4/c1-18-6-5-7-19(12-18)14-25(30-21-8-3-2-4-9-21)26(32)31-22(15-29)17-35-16-20-10-11-24(28)23(13-20)27(33)34/h2-13,22,25,30H,14,16-17H2,1H3,(H,31,32)(H,33,34)/t22-,25+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM35493
PNG
((2R,3R)-3-[[(1S)-1-(4-guanidinobutylcarbamoyl)-3-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(O)=O)C(=O)NCCCCN=C(N)N
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10+,11+/m0/s1
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n/an/a 12.3n/an/an/an/a6.823



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25T3HTJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM19791
PNG
((2S)-3,3-dimethyl-1-[3-(pyridin-4-yl)-1H-pyrazol-1...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccncc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H36N6O5S/c1-5-6-9-22(23(34)18-30-39(36,37)25-10-7-8-14-29-25)31-26(35)38-24(27(2,3)4)19-33-17-13-21(32-33)20-11-15-28-16-12-20/h7-8,10-17,22,24,30H,5-6,9,18-19H2,1-4H3,(H,31,35)/t22-,24+/m0/s1
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n/an/a 13n/an/an/an/a5.522



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


Bioorg Med Chem Lett 17: 22-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.102
BindingDB Entry DOI: 10.7270/Q2NZ85XC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135545
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(3-methanesulfonyl-phenyla...)
Show SMILES Cc1cccc(C[C@H](Nc2cccc(c2)S(C)(=O)=O)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C28H29N3O6S/c1-19-6-3-7-20(12-19)14-26(30-23-10-5-11-25(15-23)38(2,35)36)27(32)31-24(16-29)18-37-17-21-8-4-9-22(13-21)28(33)34/h3-13,15,24,26,30H,14,17-18H2,1-2H3,(H,31,32)(H,33,34)/t24-,26+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM19778
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B in human HepG2 cells


Bioorg Med Chem Lett 18: 923-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.047
BindingDB Entry DOI: 10.7270/Q21J9BM2
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50250152
PNG
(3-acetyl-8-chloro-2-(4-chlorophenylamino)-6-nitroq...)
Show SMILES CC(=O)c1c(Nc2ccc(Cl)cc2)nc2c(Cl)cc(cc2c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11Cl2N3O4/c1-8(23)14-16(24)12-6-11(22(25)26)7-13(19)15(12)21-17(14)20-10-4-2-9(18)3-5-10/h2-7H,1H3,(H2,20,21,24)
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n/an/a 14.2n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 30 mins by fluorometric end-point assay


J Med Chem 52: 3093-7 (2009)


Article DOI: 10.1021/jm8014734
BindingDB Entry DOI: 10.7270/Q2KK9CQ4
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50031719
PNG
(CHEMBL3359772)
Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C32H42N4O5/c1-3-4-20-26(28(37)32(41)34-25-18-12-7-13-19-25)35-29(38)22(2)33-31(40)27(21-23-14-8-5-9-15-23)36-30(39)24-16-10-6-11-17-24/h5-6,8-11,14-17,22,25-27H,3-4,7,12-13,18-21H2,1-2H3,(H,33,40)(H,34,41)(H,35,38)(H,36,39)/t22-,26-,27-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Domainex Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B (unknown origin)


J Med Chem 57: 9447-62 (2014)


Article DOI: 10.1021/jm501102h
BindingDB Entry DOI: 10.7270/Q2R212ZW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


J Med Chem 41: 4301-8 (1998)


Article DOI: 10.1021/jm9803065
BindingDB Entry DOI: 10.7270/Q2VQ33CX
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50107647
PNG
(CHEMBL140506 | N-{1-[(Benzyloxymethyl-cyano-methyl...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Show InChI InChI=1S/C27H25ClFN3O3/c1-18-6-5-9-20(12-18)13-25(32-26(33)23-11-10-21(28)14-24(23)29)27(34)31-22(15-30)17-35-16-19-7-3-2-4-8-19/h2-12,14,22,25H,13,16-17H2,1H3,(H,31,34)(H,32,33)/t22-,25+/m1/s1
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n/an/a 16.9n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50031719
PNG
(CHEMBL3359772)
Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C32H42N4O5/c1-3-4-20-26(28(37)32(41)34-25-18-12-7-13-19-25)35-29(38)22(2)33-31(40)27(21-23-14-8-5-9-15-23)36-30(39)24-16-10-6-11-17-24/h5-6,8-11,14-17,22,25-27H,3-4,7,12-13,18-21H2,1-2H3,(H,33,40)(H,34,41)(H,35,38)(H,36,39)/t22-,26-,27-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Domainex Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using ABz-Gly-Ile-Val-Arg-Ala-Lys-DNP-OH as substrate after 10 mins by fluorescence assay


J Med Chem 57: 9447-62 (2014)


Article DOI: 10.1021/jm501102h
BindingDB Entry DOI: 10.7270/Q2R212ZW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50135548
PNG
((S)-N-[(R)-Cyano-(3-tetrazol-1-yl-benzyloxymethyl)...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)-n2cnnn2)C#N)c1
Show InChI InChI=1S/C27H27N7O2/c1-20-7-5-8-21(13-20)15-26(30-23-10-3-2-4-11-23)27(35)31-24(16-28)18-36-17-22-9-6-12-25(14-22)34-19-29-32-33-34/h2-14,19,24,26,30H,15,17-18H2,1H3,(H,31,35)/t24-,26+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50177501
PNG
(CHEMBL203663 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C23H36N4O4/c1-4-5-11-20(17-24-26-22(28)27-12-14-30-15-13-27)25-23(29)31-21(18(2)3)16-19-9-7-6-8-10-19/h6-10,17-18,20-21H,4-5,11-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin B in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50107630
PNG
(3-[4-Cyano-4-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CCCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C36H35N3O4/c1-25-11-8-14-27(21-25)23-32(39-35(41)33(28-15-4-2-5-16-28)29-17-6-3-7-18-29)34(40)38-31(24-37)20-10-13-26-12-9-19-30(22-26)36(42)43/h2-9,11-12,14-19,21-22,31-33H,10,13,20,23H2,1H3,(H,38,40)(H,39,41)(H,42,43)/t31-,32-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50284782
PNG
(CHEMBL418606 | Z-Phe-Leu-H)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N2O5/c1-16(2)13-20(22(27)28)24-21(26)19(14-17-9-5-3-6-10-17)25-23(29)30-15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t19-,20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against cathepsin B


Bioorg Med Chem Lett 5: 1501-1504 (1995)


Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50196744
PNG
(2,2,2-trifluoroethyl (S)-1-((2S,3R)-4-(3-ethylbenz...)
Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)OCC(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
Show InChI InChI=1S/C29H38F5N3O6S/c1-3-5-9-44(41,42)17-25(37-28(40)43-18-29(32,33)34)27(39)36-24(13-21-11-22(30)14-23(31)12-21)26(38)16-35-15-20-8-6-7-19(4-2)10-20/h6-8,10-12,14,24-26,35,38H,3-5,9,13,15-18H2,1-2H3,(H,36,39)(H,37,40)/t24-,25+,26+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 17: 78-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.091
BindingDB Entry DOI: 10.7270/Q22N51X6
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50031632
PNG
(CHEMBL3359790)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(N)=O
Show InChI InChI=1S/C22H32N4O5/c1-12(2)15(16(27)18(23)28)25-19(29)13(3)24-21(31)17(22(4,5)6)26-20(30)14-10-8-7-9-11-14/h7-13,15,17H,1-6H3,(H2,23,28)(H,24,31)(H,25,29)(H,26,30)/t13-,15-,17+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Domainex Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using ABz-Gly-Ile-Val-Arg-Ala-Lys-DNP-OH as substrate after 10 mins by fluorescence assay


J Med Chem 57: 9447-62 (2014)


Article DOI: 10.1021/jm501102h
BindingDB Entry DOI: 10.7270/Q2R212ZW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM19783
PNG
((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/s1
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n/an/a 20n/an/an/an/a5.522



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


Bioorg Med Chem Lett 17: 22-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.102
BindingDB Entry DOI: 10.7270/Q2NZ85XC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50196736
PNG
(CHEMBL231863 | benzyl (S)-1-((2S,3R)-4-(3-ethylben...)
Show SMILES CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
Show InChI InChI=1S/C37H49F2N3O6S/c1-4-11-32(12-5-2)49(46,47)25-34(42-37(45)48-24-27-13-8-7-9-14-27)36(44)41-33(20-29-18-30(38)21-31(39)19-29)35(43)23-40-22-28-16-10-15-26(6-3)17-28/h7-10,13-19,21,32-35,40,43H,4-6,11-12,20,22-25H2,1-3H3,(H,41,44)(H,42,45)/t33-,34+,35+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 17: 78-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.091
BindingDB Entry DOI: 10.7270/Q22N51X6
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50369409
PNG
(CHEMBL1791004)
Show SMILES CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
Show InChI InChI=1S/C27H29N3O4S/c1-3-18(2)26(30-35(33,34)23-13-12-19-8-4-5-9-20(19)15-23)27(32)29-22(17-31)14-21-16-28-25-11-7-6-10-24(21)25/h4-13,15-18,22,26,28,30H,3,14H2,1-2H3,(H,29,32)/t18-,22-,26+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


J Med Chem 41: 4301-8 (1998)


Article DOI: 10.1021/jm9803065
BindingDB Entry DOI: 10.7270/Q2VQ33CX
More data for this
Ligand-Target Pair
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