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7 similar compounds to monomer 50113667

Compile data set for download or QSAR
Wt: 413.5
BDBM50113674
Wt: 397.5
BDBM50128949
Wt: 411.5
BDBM50128951
Wt: 487.6
BDBM50128960
Wt: 481.6
BDBM50128962
Wt: 455.5
BDBM50128964
Wt: 383.4
BDBM50128967

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50113674,50128949,50128951,50128960,50128962,50128964,50128967   
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 K


(Homo sapiens (Human))
BDBM50113674
PNG
(4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant rabbit Cathepsin K in a fluorescence assay


J Med Chem 45: 2352-4 (2002)


Article DOI: 10.1021/jm010801s
BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50128951
PNG
(4-Ethyl-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OC)cc1
Show InChI InChI=1S/C24H33N3O3/c1-5-18-6-8-19(9-7-18)23(28)27-22(16-17(2)3)24(29)26-15-14-25-20-10-12-21(30-4)13-11-20/h6-13,17,22,25H,5,14-16H2,1-4H3,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50128962
PNG
(CHEMBL294260 | N-{(S)-1-[2-(4-Cyclopentylmethoxy-p...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCC2CCCC2)cc1
Show InChI InChI=1S/C28H39N3O4/c1-20(2)18-26(31-27(32)22-8-12-24(34-3)13-9-22)28(33)30-17-16-29-23-10-14-25(15-11-23)35-19-21-6-4-5-7-21/h8-15,20-21,26,29H,4-7,16-19H2,1-3H3,(H,30,33)(H,31,32)/t26-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50128960
PNG
(CHEMBL59817 | N-{(S)-1-[2-(4-Benzyloxy-phenylamino...)
Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O3/c1-4-23-10-12-25(13-11-23)29(34)33-28(20-22(2)3)30(35)32-19-18-31-26-14-16-27(17-15-26)36-21-24-8-6-5-7-9-24/h5-17,22,28,31H,4,18-21H2,1-3H3,(H,32,35)(H,33,34)/t28-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50128964
PNG
(CHEMBL58179 | N-{(S)-1-[2-(4-Isobutoxy-phenylamino...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCC(C)C)cc1
Show InChI InChI=1S/C26H37N3O4/c1-18(2)16-24(29-25(30)20-6-10-22(32-5)11-7-20)26(31)28-15-14-27-21-8-12-23(13-9-21)33-17-19(3)4/h6-13,18-19,24,27H,14-17H2,1-5H3,(H,28,31)(H,29,30)/t24-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50128967
PNG
(CHEMBL64546 | N-{(S)-1-[2-(4-Methoxy-phenylamino)-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H29N3O3/c1-16(2)15-20(25-21(26)17-7-5-4-6-8-17)22(27)24-14-13-23-18-9-11-19(28-3)12-10-18/h4-12,16,20,23H,13-15H2,1-3H3,(H,24,27)(H,25,26)/t20-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50128967
PNG
(CHEMBL64546 | N-{(S)-1-[2-(4-Methoxy-phenylamino)-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H29N3O3/c1-16(2)15-20(25-21(26)17-7-5-4-6-8-17)22(27)24-14-13-23-18-9-11-19(28-3)12-10-18/h4-12,16,20,23H,13-15H2,1-3H3,(H,24,27)(H,25,26)/t20-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50113674
PNG
(4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50128967
PNG
(CHEMBL64546 | N-{(S)-1-[2-(4-Methoxy-phenylamino)-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H29N3O3/c1-16(2)15-20(25-21(26)17-7-5-4-6-8-17)22(27)24-14-13-23-18-9-11-19(28-3)12-10-18/h4-12,16,20,23H,13-15H2,1-3H3,(H,24,27)(H,25,26)/t20-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50128964
PNG
(CHEMBL58179 | N-{(S)-1-[2-(4-Isobutoxy-phenylamino...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCC(C)C)cc1
Show InChI InChI=1S/C26H37N3O4/c1-18(2)16-24(29-25(30)20-6-10-22(32-5)11-7-20)26(31)28-15-14-27-21-8-12-23(13-9-21)33-17-19(3)4/h6-13,18-19,24,27H,14-17H2,1-5H3,(H,28,31)(H,29,30)/t24-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50113674
PNG
(4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50128962
PNG
(CHEMBL294260 | N-{(S)-1-[2-(4-Cyclopentylmethoxy-p...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCC2CCCC2)cc1
Show InChI InChI=1S/C28H39N3O4/c1-20(2)18-26(31-27(32)22-8-12-24(34-3)13-9-22)28(33)30-17-16-29-23-10-14-25(15-11-23)35-19-21-6-4-5-7-21/h8-15,20-21,26,29H,4-7,16-19H2,1-3H3,(H,30,33)(H,31,32)/t26-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50128960
PNG
(CHEMBL59817 | N-{(S)-1-[2-(4-Benzyloxy-phenylamino...)
Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O3/c1-4-23-10-12-25(13-11-23)29(34)33-28(20-22(2)3)30(35)32-19-18-31-26-14-16-27(17-15-26)36-21-24-8-6-5-7-9-24/h5-17,22,28,31H,4,18-21H2,1-3H3,(H,32,35)(H,33,34)/t28-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50113674
PNG
(4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50128949
PNG
(CHEMBL292472 | N-{(S)-1-[2-(4-Methoxy-phenylamino)...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H31N3O3/c1-16(2)15-21(26-22(27)18-7-5-17(3)6-8-18)23(28)25-14-13-24-19-9-11-20(29-4)12-10-19/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50128949
PNG
(CHEMBL292472 | N-{(S)-1-[2-(4-Methoxy-phenylamino)...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H31N3O3/c1-16(2)15-21(26-22(27)18-7-5-17(3)6-8-18)23(28)25-14-13-24-19-9-11-20(29-4)12-10-19/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50128951
PNG
(4-Ethyl-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OC)cc1
Show InChI InChI=1S/C24H33N3O3/c1-5-18-6-8-19(9-7-18)23(28)27-22(16-17(2)3)24(29)26-15-14-25-20-10-12-21(30-4)13-11-20/h6-13,17,22,25H,5,14-16H2,1-4H3,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50128960
PNG
(CHEMBL59817 | N-{(S)-1-[2-(4-Benzyloxy-phenylamino...)
Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O3/c1-4-23-10-12-25(13-11-23)29(34)33-28(20-22(2)3)30(35)32-19-18-31-26-14-16-27(17-15-26)36-21-24-8-6-5-7-9-24/h5-17,22,28,31H,4,18-21H2,1-3H3,(H,32,35)(H,33,34)/t28-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50128964
PNG
(CHEMBL58179 | N-{(S)-1-[2-(4-Isobutoxy-phenylamino...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCC(C)C)cc1
Show InChI InChI=1S/C26H37N3O4/c1-18(2)16-24(29-25(30)20-6-10-22(32-5)11-7-20)26(31)28-15-14-27-21-8-12-23(13-9-21)33-17-19(3)4/h6-13,18-19,24,27H,14-17H2,1-5H3,(H,28,31)(H,29,30)/t24-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50128949
PNG
(CHEMBL292472 | N-{(S)-1-[2-(4-Methoxy-phenylamino)...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H31N3O3/c1-16(2)15-21(26-22(27)18-7-5-17(3)6-8-18)23(28)25-14-13-24-19-9-11-20(29-4)12-10-19/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a<30n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50128962
PNG
(CHEMBL294260 | N-{(S)-1-[2-(4-Cyclopentylmethoxy-p...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCC2CCCC2)cc1
Show InChI InChI=1S/C28H39N3O4/c1-20(2)18-26(31-27(32)22-8-12-24(34-3)13-9-22)28(33)30-17-16-29-23-10-14-25(15-11-23)35-19-21-6-4-5-7-21/h8-15,20-21,26,29H,4-7,16-19H2,1-3H3,(H,30,33)(H,31,32)/t26-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50128951
PNG
(4-Ethyl-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OC)cc1
Show InChI InChI=1S/C24H33N3O3/c1-5-18-6-8-19(9-7-18)23(28)27-22(16-17(2)3)24(29)26-15-14-25-20-10-12-21(30-4)13-11-20/h6-13,17,22,25H,5,14-16H2,1-4H3,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair