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PubMed code 12036343

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cathepsin K


(Homo sapiens (Human))		BDBM50113662
PNG
(1-(2,3-Dichloro-phenyl)-1H-[1,2,4]triazole-3-carbo...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(n2)-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C24H28Cl2N6O3/c1-15(2)13-19(23(33)28-12-11-27-16-7-9-17(35-3)10-8-16)30-24(34)22-29-14-32(31-22)20-6-4-5-18(25)21(20)26/h4-10,14-15,19,27H,11-13H2,1-3H3,(H,28,33)(H,30,34)/t19-/m0/s1
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 11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Eq. constant (Ki) for inhibition of Cathepsin K was determined by progress curves, following hydrolysis of Z-Phe-Arg- Amc in the absence and presence...

J Med Chem 45: 2352-4 (2002)


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


(Homo sapiens (Human))		BDBM50113667
PNG
(4-Benzyloxy-N-{1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H35N3O4/c1-21(2)19-27(29(34)31-18-17-30-24-11-15-25(35-3)16-12-24)32-28(33)23-9-13-26(14-10-23)36-20-22-7-5-4-6-8-22/h4-16,21,27,30H,17-20H2,1-3H3,(H,31,34)(H,32,33)/t27-/m0/s1
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 15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Eq. constant (Ki) for inhibition of Cathepsin K was determined by progress curves, following hydrolysis of Z-Phe-Arg- Amc in the absence and presence...

J Med Chem 45: 2352-4 (2002)


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


(Homo sapiens (Human))		BDBM50113667
PNG
(4-Benzyloxy-N-{1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H35N3O4/c1-21(2)19-27(29(34)31-18-17-30-24-11-15-25(35-3)16-12-24)32-28(33)23-9-13-26(14-10-23)36-20-22-7-5-4-6-8-22/h4-16,21,27,30H,17-20H2,1-3H3,(H,31,34)(H,32,33)/t27-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in fluorescence assay

J Med Chem 45: 2352-4 (2002)


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


(Homo sapiens (Human))		BDBM50113669
PNG
(1-(2-Chloro-phenyl)-1H-[1,2,4]triazole-3-carboxyli...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(n2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C24H29ClN6O3/c1-16(2)14-20(23(32)27-13-12-26-17-8-10-18(34-3)11-9-17)29-24(33)22-28-15-31(30-22)21-7-5-4-6-19(21)25/h4-11,15-16,20,26H,12-14H2,1-3H3,(H,27,32)(H,29,33)/t20-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in fluorescence assay

J Med Chem 45: 2352-4 (2002)


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


(Homo sapiens (Human))		BDBM50113662
PNG
(1-(2,3-Dichloro-phenyl)-1H-[1,2,4]triazole-3-carbo...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(n2)-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C24H28Cl2N6O3/c1-15(2)13-19(23(33)28-12-11-27-16-7-9-17(35-3)10-8-16)30-24(34)22-29-14-32(31-22)20-6-4-5-18(25)21(20)26/h4-10,14-15,19,27H,11-13H2,1-3H3,(H,28,33)(H,30,34)/t19-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in fluorescence assay

J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
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 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)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50113673
PNG
(4-Isopropyl-N-{1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C25H35N3O3/c1-17(2)16-23(28-24(29)20-8-6-19(7-9-20)18(3)4)25(30)27-15-14-26-21-10-12-22(31-5)13-11-21/h6-13,17-18,23,26H,14-16H2,1-5H3,(H,27,30)(H,28,29)/t23-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay.

J Med Chem 45: 2352-4 (2002)


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


(Homo sapiens (Human))		BDBM50113676
PNG
((S)-benzyl 1-(2-(4-methoxyphenylamino)ethylamino)-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C23H31N3O4/c1-17(2)15-21(26-23(28)30-16-18-7-5-4-6-8-18)22(27)25-14-13-24-19-9-11-20(29-3)12-10-19/h4-12,17,21,24H,13-16H2,1-3H3,(H,25,27)(H,26,28)/t21-/m0/s1
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n/an/a 60n/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)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50113662
PNG
(1-(2,3-Dichloro-phenyl)-1H-[1,2,4]triazole-3-carbo...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(n2)-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C24H28Cl2N6O3/c1-15(2)13-19(23(33)28-12-11-27-16-7-9-17(35-3)10-8-16)30-24(34)22-29-14-32(31-22)20-6-4-5-18(25)21(20)26/h4-10,14-15,19,27H,11-13H2,1-3H3,(H,28,33)(H,30,34)/t19-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 45: 2352-4 (2002)


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


(Homo sapiens (Human))		BDBM50113665
PNG
(CHEMBL308392 | [3-Methyl-1-(2-p-tolylamino-ethylca...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(C)cc1
Show InChI InChI=1S/C23H31N3O3/c1-17(2)15-21(26-23(28)29-16-19-7-5-4-6-8-19)22(27)25-14-13-24-20-11-9-18(3)10-12-20/h4-12,17,21,24H,13-16H2,1-3H3,(H,25,27)(H,26,28)/t21-/m0/s1
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n/an/a 190n/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)


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


(Homo sapiens (Human))		BDBM50113668
PNG
(CHEMBL78112 | {1-[2-(4-Chloro-phenylamino)-ethylca...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(Cl)cc1
Show InChI InChI=1S/C22H28ClN3O3/c1-16(2)14-20(26-22(28)29-15-17-6-4-3-5-7-17)21(27)25-13-12-24-19-10-8-18(23)9-11-19/h3-11,16,20,24H,12-15H2,1-2H3,(H,25,27)(H,26,28)/t20-/m0/s1
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n/an/a 350n/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)


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


(Homo sapiens (Human))		BDBM50113675
PNG
(CHEMBL78288 | [3-Methyl-1-(2-m-tolylamino-ethylcar...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1cccc(C)c1
Show InChI InChI=1S/C23H31N3O3/c1-17(2)14-21(26-23(28)29-16-19-9-5-4-6-10-19)22(27)25-13-12-24-20-11-7-8-18(3)15-20/h4-11,15,17,21,24H,12-14,16H2,1-3H3,(H,25,27)(H,26,28)/t21-/m0/s1
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n/an/a 460n/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)


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


(Homo sapiens (Human))		BDBM50113671
PNG
(CHEMBL73908 | [3-Methyl-1-(2-phenylamino-ethylcarb...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccccc1
Show InChI InChI=1S/C22H29N3O3/c1-17(2)15-20(25-22(27)28-16-18-9-5-3-6-10-18)21(26)24-14-13-23-19-11-7-4-8-12-19/h3-12,17,20,23H,13-16H2,1-2H3,(H,24,26)(H,25,27)/t20-/m0/s1
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n/an/a 470n/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)


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


(Homo sapiens (Human))		BDBM50113670
PNG
(CHEMBL77335 | {1-[2-(3-Chloro-phenylamino)-ethylca...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1cccc(Cl)c1
Show InChI InChI=1S/C22H28ClN3O3/c1-16(2)13-20(26-22(28)29-15-17-7-4-3-5-8-17)21(27)25-12-11-24-19-10-6-9-18(23)14-19/h3-10,14,16,20,24H,11-13,15H2,1-2H3,(H,25,27)(H,26,28)/t20-/m0/s1
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n/an/a>1.00E+3n/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)


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


(Homo sapiens (Human))		BDBM50113666
PNG
(CHEMBL78044 | {1-[2-(3-Methoxy-phenylamino)-ethylc...)
Show SMILES COc1cccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C23H31N3O4/c1-17(2)14-21(26-23(28)30-16-18-8-5-4-6-9-18)22(27)25-13-12-24-19-10-7-11-20(15-19)29-3/h4-11,15,17,21,24H,12-14,16H2,1-3H3,(H,25,27)(H,26,28)/t21-/m0/s1
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n/an/a>1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50113663
PNG
(CHEMBL77471 | N-{1-[2-(4-Methoxy-phenylamino)-ethy...)
Show SMILES CCCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OC)cc1
Show InChI InChI=1S/C25H35N3O3/c1-5-6-19-7-9-20(10-8-19)24(29)28-23(17-18(2)3)25(30)27-16-15-26-21-11-13-22(31-4)14-12-21/h7-14,18,23,26H,5-6,15-17H2,1-4H3,(H,27,30)(H,28,29)/t23-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50113664
PNG
(5-Isopropyl-pyridine-2-carboxylic acid {1-[2-(4-me...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cn2)C(C)C)cc1
Show InChI InChI=1S/C24H34N4O3/c1-16(2)14-22(28-24(30)21-11-6-18(15-27-21)17(3)4)23(29)26-13-12-25-19-7-9-20(31-5)10-8-19/h6-11,15-17,22,25H,12-14H2,1-5H3,(H,26,29)(H,28,30)/t22-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay.

J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50113669
PNG
(1-(2-Chloro-phenyl)-1H-[1,2,4]triazole-3-carboxyli...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(n2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C24H29ClN6O3/c1-16(2)14-20(23(32)27-13-12-26-17-8-10-18(34-3)11-9-17)29-24(33)22-28-15-31(30-22)21-7-5-4-6-19(21)25/h4-11,15-16,20,26H,12-14H2,1-3H3,(H,27,32)(H,29,33)/t20-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50113669
PNG
(1-(2-Chloro-phenyl)-1H-[1,2,4]triazole-3-carboxyli...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(n2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C24H29ClN6O3/c1-16(2)14-20(23(32)27-13-12-26-17-8-10-18(34-3)11-9-17)29-24(33)22-28-15-31(30-22)21-7-5-4-6-19(21)25/h4-11,15-16,20,26H,12-14H2,1-3H3,(H,27,32)(H,29,33)/t20-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay.

J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50113673
PNG
(4-Isopropyl-N-{1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C25H35N3O3/c1-17(2)16-23(28-24(29)20-8-6-19(7-9-20)18(3)4)25(30)27-15-14-26-21-10-12-22(31-5)13-11-21/h6-13,17-18,23,26H,14-16H2,1-5H3,(H,27,30)(H,28,29)/t23-/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50113664
PNG
(5-Isopropyl-pyridine-2-carboxylic acid {1-[2-(4-me...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cn2)C(C)C)cc1
Show InChI InChI=1S/C24H34N4O3/c1-16(2)14-22(28-24(30)21-11-6-18(15-27-21)17(3)4)23(29)26-13-12-25-19-7-9-20(31-5)10-8-19/h6-11,15-17,22,25H,12-14H2,1-5H3,(H,26,29)(H,28,30)/t22-/m0/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50113667
PNG
(4-Benzyloxy-N-{1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H35N3O4/c1-21(2)19-27(29(34)31-18-17-30-24-11-15-25(35-3)16-12-24)32-28(33)23-9-13-26(14-10-23)36-20-22-7-5-4-6-8-22/h4-16,21,27,30H,17-20H2,1-3H3,(H,31,34)(H,32,33)/t27-/m0/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50113667
PNG
(4-Benzyloxy-N-{1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H35N3O4/c1-21(2)19-27(29(34)31-18-17-30-24-11-15-25(35-3)16-12-24)32-28(33)23-9-13-26(14-10-23)36-20-22-7-5-4-6-8-22/h4-16,21,27,30H,17-20H2,1-3H3,(H,31,34)(H,32,33)/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay.

J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50113662
PNG
(1-(2,3-Dichloro-phenyl)-1H-[1,2,4]triazole-3-carbo...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(n2)-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C24H28Cl2N6O3/c1-15(2)13-19(23(33)28-12-11-27-16-7-9-17(35-3)10-8-16)30-24(34)22-29-14-32(31-22)20-6-4-5-18(25)21(20)26/h4-10,14-15,19,27H,11-13H2,1-3H3,(H,28,33)(H,30,34)/t19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay.

J Med Chem 45: 2352-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%