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14 molecules are shown

Wt: 419.5
BDBM19638
Wt: 419.5
BDBM19639
Wt: 419.5
BDBM19640
Wt: 419.5
BDBM19641
Wt: 485.5
BDBM19642
Wt: 499.5
BDBM19643
Wt: 513.5
BDBM19644
Wt: 527.6
BDBM19646
Wt: 485.5
BDBM19651
Wt: 513.5
BDBM19654
Wt: 527.6
BDBM19655
Wt: 487.5
BDBM19658
Wt: 411.5
BDBM19855
Purchase
Wt: 398.4
BDBM50390404

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 69 hits for monomerid = 19638,19639,19640,19641,19642,19643,19644,19646,19651,19654,19655,19658,19855,50390404   
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 D


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



University of Bonn

Curated by ChEMBL


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


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


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


(Homo sapiens (human))
BDBM19855
PNG
(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
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1.40n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-K using Z-Gly-Pro-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay


J Med Chem 58: 6928-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00746
BindingDB Entry DOI: 10.7270/Q2BK1F44
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Oryctolagus cuniculus (rabbit))
BDBM19855
PNG
(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
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1.40n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate


J Med Chem 48: 7520-34 (2005)


Article DOI: 10.1021/jm058198r
BindingDB Entry DOI: 10.7270/Q23T9GSB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19646
PNG
((2R)-2-(cyclohexylmethyl)-N-[(2S)-3-methyl-1-{[4-(...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-8-10-23(11-9-22)37-27(28,29)30)32-26(35)21(16-20-6-4-3-5-7-20)17-25(34)33-12-14-36-15-13-33/h8-11,19-21,24,31H,3-7,12-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1
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11 -11.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19655
PNG
((2R)-2-(2-cyclopentylethyl)-N-[(2S)-3-methyl-1-{[4...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-9-11-23(12-10-22)37-27(28,29)30)32-26(35)21(8-7-20-5-3-4-6-20)17-25(34)33-13-15-36-16-14-33/h9-12,19-21,24,31H,3-8,13-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1
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11 -11.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19644
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O4/c1-2-21(18-30-22-8-10-23(11-9-22)36-26(27,28)29)31-25(34)20(16-19-6-4-3-5-7-19)17-24(33)32-12-14-35-15-13-32/h8-11,19-21,30H,2-7,12-18H2,1H3,(H,31,34)/t20-,21+/m1/s1
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16 -11.1n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19643
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C25H36F3N3O4/c1-18(17-29-21-7-9-22(10-8-21)35-25(26,27)28)30-24(33)20(15-19-5-3-2-4-6-19)16-23(32)31-11-13-34-14-12-31/h7-10,18-20,29H,2-6,11-17H2,1H3,(H,30,33)/t18-,20+/m0/s1
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28 -10.7n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19651
PNG
((2R)-2-(cyclopentylmethyl)-4-(morpholin-4-yl)-4-ox...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H34F3N3O4/c1-17(16-28-20-6-8-21(9-7-20)34-24(25,26)27)29-23(32)19(14-18-4-2-3-5-18)15-22(31)30-10-12-33-13-11-30/h6-9,17-19,28H,2-5,10-16H2,1H3,(H,29,32)/t17-,19+/m0/s1
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31 -10.6n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19658
PNG
((2R)-5,5-dimethyl-2-[2-(morpholin-4-yl)-2-oxoethyl...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC(C)(C)C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H36F3N3O4/c1-17(16-28-19-5-7-20(8-6-19)34-24(25,26)27)29-22(32)18(9-10-23(2,3)4)15-21(31)30-11-13-33-14-12-30/h5-8,17-18,28H,9-16H2,1-4H3,(H,29,32)/t17-,18+/m0/s1
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70 -10.1n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19654
PNG
((2R)-2-(2-cyclohexylethyl)-4-(morpholin-4-yl)-4-ox...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O4/c1-19(18-30-22-9-11-23(12-10-22)36-26(27,28)29)31-25(34)21(8-7-20-5-3-2-4-6-20)17-24(33)32-13-15-35-16-14-32/h9-12,19-21,30H,2-8,13-18H2,1H3,(H,31,34)/t19-,21+/m0/s1
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95 -9.96n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19646
PNG
((2R)-2-(cyclohexylmethyl)-N-[(2S)-3-methyl-1-{[4-(...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-8-10-23(11-9-22)37-27(28,29)30)32-26(35)21(16-20-6-4-3-5-7-20)17-25(34)33-12-14-36-15-13-33/h8-11,19-21,24,31H,3-7,12-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1
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193n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19642
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C24H34F3N3O4/c25-24(26,27)34-21-8-6-20(7-9-21)28-10-11-29-23(32)19(16-18-4-2-1-3-5-18)17-22(31)30-12-14-33-15-13-30/h6-9,18-19,28H,1-5,10-17H2,(H,29,32)/t19-/m1/s1
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194 -9.52n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19644
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O4/c1-2-21(18-30-22-8-10-23(11-9-22)36-26(27,28)29)31-25(34)20(16-19-6-4-3-5-7-19)17-24(33)32-12-14-35-15-13-32/h8-11,19-21,30H,2-7,12-18H2,1H3,(H,31,34)/t20-,21+/m1/s1
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267n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19855
PNG
(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
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503n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay


J Med Chem 58: 6928-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00746
BindingDB Entry DOI: 10.7270/Q2BK1F44
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19655
PNG
((2R)-2-(2-cyclopentylethyl)-N-[(2S)-3-methyl-1-{[4...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-9-11-23(12-10-22)37-27(28,29)30)32-26(35)21(8-7-20-5-3-4-6-20)17-25(34)33-13-15-36-16-14-33/h9-12,19-21,24,31H,3-8,13-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1
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777n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19644
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O4/c1-2-21(18-30-22-8-10-23(11-9-22)36-26(27,28)29)31-25(34)20(16-19-6-4-3-5-7-19)17-24(33)32-12-14-35-15-13-32/h8-11,19-21,30H,2-7,12-18H2,1H3,(H,31,34)/t20-,21+/m1/s1
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907n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM19646
PNG
((2R)-2-(cyclohexylmethyl)-N-[(2S)-3-methyl-1-{[4-(...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-8-10-23(11-9-22)37-27(28,29)30)32-26(35)21(16-20-6-4-3-5-7-20)17-25(34)33-12-14-36-15-13-33/h8-11,19-21,24,31H,3-7,12-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1
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995n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin S


(Homo sapiens (Human))
BDBM19638
PNG
((2R)-2-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-23(29)19(16-18-4-2-1-3-5-18)17-22(28)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,29)/t19-/m1/s1
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1.37E+3 -8.32n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19640
PNG
((3R)-3-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)C[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-22(28)17-19(16-18-4-2-1-3-5-18)23(29)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,28)/t19-/m1/s1
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PubMed
1.72E+3 -8.17n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19855
PNG
(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
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3.26E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-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 K


(Homo sapiens (human))
BDBM19654
PNG
((2R)-2-(2-cyclohexylethyl)-4-(morpholin-4-yl)-4-ox...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O4/c1-19(18-30-22-9-11-23(12-10-22)36-26(27,28)29)31-25(34)21(8-7-20-5-3-2-4-6-20)17-24(33)32-13-15-35-16-14-32/h9-12,19-21,30H,2-8,13-18H2,1H3,(H,31,34)/t19-,21+/m0/s1
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3.71E+3n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM19651
PNG
((2R)-2-(cyclopentylmethyl)-4-(morpholin-4-yl)-4-ox...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H34F3N3O4/c1-17(16-28-20-6-8-21(9-7-20)34-24(25,26)27)29-23(32)19(14-18-4-2-3-5-18)15-22(31)30-10-12-33-13-11-30/h6-9,17-19,28H,2-5,10-16H2,1H3,(H,29,32)/t17-,19+/m0/s1
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3.71E+3n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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3.80E+3n/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 L1


(Homo sapiens (human))
BDBM19643
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C25H36F3N3O4/c1-18(17-29-21-7-9-22(10-8-21)35-25(26,27)28)30-24(33)20(15-19-5-3-2-4-6-19)16-23(32)31-11-13-34-14-12-31/h7-10,18-20,29H,2-6,11-17H2,1H3,(H,30,33)/t18-,20+/m0/s1
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1.89E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19643
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C25H36F3N3O4/c1-18(17-29-21-7-9-22(10-8-21)35-25(26,27)28)30-24(33)20(15-19-5-3-2-4-6-19)16-23(32)31-11-13-34-14-12-31/h7-10,18-20,29H,2-6,11-17H2,1H3,(H,30,33)/t18-,20+/m0/s1
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2.43E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM19655
PNG
((2R)-2-(2-cyclopentylethyl)-N-[(2S)-3-methyl-1-{[4...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-9-11-23(12-10-22)37-27(28,29)30)32-26(35)21(8-7-20-5-3-4-6-20)17-25(34)33-13-15-36-16-14-33/h9-12,19-21,24,31H,3-8,13-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1
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>2.64E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin L1


(Homo sapiens (human))
BDBM19642
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C24H34F3N3O4/c25-24(26,27)34-21-8-6-20(7-9-21)28-10-11-29-23(32)19(16-18-4-2-1-3-5-18)17-22(31)30-12-14-33-15-13-30/h6-9,18-19,28H,1-5,10-17H2,(H,29,32)/t19-/m1/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19638
PNG
((2R)-2-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-23(29)19(16-18-4-2-1-3-5-18)17-22(28)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,29)/t19-/m1/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin L1


(Homo sapiens (human))
BDBM19638
PNG
((2R)-2-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-23(29)19(16-18-4-2-1-3-5-18)17-22(28)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,29)/t19-/m1/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19651
PNG
((2R)-2-(cyclopentylmethyl)-4-(morpholin-4-yl)-4-ox...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H34F3N3O4/c1-17(16-28-20-6-8-21(9-7-20)34-24(25,26)27)29-23(32)19(14-18-4-2-3-5-18)15-22(31)30-10-12-33-13-11-30/h6-9,17-19,28H,2-5,10-16H2,1H3,(H,29,32)/t17-,19+/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19654
PNG
((2R)-2-(2-cyclohexylethyl)-4-(morpholin-4-yl)-4-ox...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O4/c1-19(18-30-22-9-11-23(12-10-22)36-26(27,28)29)31-25(34)21(8-7-20-5-3-2-4-6-20)17-24(33)32-13-15-35-16-14-32/h9-12,19-21,30H,2-8,13-18H2,1H3,(H,31,34)/t19-,21+/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19855
PNG
(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
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3.01E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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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6.50E+4n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-S using Z-Phe-Val-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay


J Med Chem 58: 6928-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00746
BindingDB Entry DOI: 10.7270/Q2BK1F44
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19641
PNG
((3S)-3-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)C[C@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-22(28)17-19(16-18-4-2-1-3-5-18)23(29)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,28)/t19-/m0/s1
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>1.00E+5>-5.67n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19639
PNG
((2S)-2-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)[C@@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-23(29)19(16-18-4-2-1-3-5-18)17-22(28)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,29)/t19-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM19640
PNG
((3R)-3-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)C[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-22(28)17-19(16-18-4-2-1-3-5-18)23(29)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,28)/t19-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM19641
PNG
((3S)-3-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)C[C@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-22(28)17-19(16-18-4-2-1-3-5-18)23(29)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,28)/t19-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM19642
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C24H34F3N3O4/c25-24(26,27)34-21-8-6-20(7-9-21)28-10-11-29-23(32)19(16-18-4-2-1-3-5-18)17-22(31)30-12-14-33-15-13-30/h6-9,18-19,28H,1-5,10-17H2,(H,29,32)/t19-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM19658
PNG
((2R)-5,5-dimethyl-2-[2-(morpholin-4-yl)-2-oxoethyl...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC(C)(C)C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H36F3N3O4/c1-17(16-28-19-5-7-20(8-6-19)34-24(25,26)27)29-22(32)18(9-10-23(2,3)4)15-21(31)30-11-13-33-14-12-30/h5-8,17-18,28H,9-16H2,1-4H3,(H,29,32)/t17-,18+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin L1


(Homo sapiens (human))
BDBM19639
PNG
((2S)-2-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)[C@@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-23(29)19(16-18-4-2-1-3-5-18)17-22(28)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,29)/t19-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19640
PNG
((3R)-3-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)C[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-22(28)17-19(16-18-4-2-1-3-5-18)23(29)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,28)/t19-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19641
PNG
((3S)-3-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)C[C@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-22(28)17-19(16-18-4-2-1-3-5-18)23(29)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,28)/t19-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19658
PNG
((2R)-5,5-dimethyl-2-[2-(morpholin-4-yl)-2-oxoethyl...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC(C)(C)C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H36F3N3O4/c1-17(16-28-19-5-7-20(8-6-19)34-24(25,26)27)29-22(32)18(9-10-23(2,3)4)15-21(31)30-11-13-33-14-12-30/h5-8,17-18,28H,9-16H2,1-4H3,(H,29,32)/t17-,18+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19639
PNG
((2S)-2-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...)
Show SMILES Fc1ccc(NCCNC(=O)[C@@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-23(29)19(16-18-4-2-1-3-5-18)17-22(28)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,29)/t19-/m0/s1
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>1.00E+5>-5.67n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50390404
PNG
(CHEMBL2070936)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C22H27FN4O2/c23-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21(29)19-4-2-1-3-18(19)20(28)25-22(15-24)9-10-22/h5-8,18-19H,1-4,9-14H2,(H,25,28)/t18-,19-/m1/s1
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n/an/a 3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 5563-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.012
BindingDB Entry DOI: 10.7270/Q2DF6S86
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50390404
PNG
(CHEMBL2070936)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C22H27FN4O2/c23-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21(29)19-4-2-1-3-18(19)20(28)25-22(15-24)9-10-22/h5-8,18-19H,1-4,9-14H2,(H,25,28)/t18-,19-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B using Z-Arg-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent res...


Bioorg Med Chem Lett 22: 5563-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.012
BindingDB Entry DOI: 10.7270/Q2DF6S86
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50390404
PNG
(CHEMBL2070936)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C22H27FN4O2/c23-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21(29)19-4-2-1-3-18(19)20(28)25-22(15-24)9-10-22/h5-8,18-19H,1-4,9-14H2,(H,25,28)/t18-,19-/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Z-Val-Val-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent...


Bioorg Med Chem Lett 22: 5563-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.012
BindingDB Entry DOI: 10.7270/Q2DF6S86
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50390404
PNG
(CHEMBL2070936)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C22H27FN4O2/c23-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21(29)19-4-2-1-3-18(19)20(28)25-22(15-24)9-10-22/h5-8,18-19H,1-4,9-14H2,(H,25,28)/t18-,19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent res...


Bioorg Med Chem Lett 22: 5563-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.012
BindingDB Entry DOI: 10.7270/Q2DF6S86
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 61n/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 K


(Homo sapiens (human))
BDBM19855
PNG
(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K


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
3D
3D Structure (docked)
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