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PubMed code 15837295

Compile data set for download or QSAR
Found 55 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))		BDBM50165427
PNG
(CHEMBL194068 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)NCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H31N3O5/c1-5-6-12-16(25-21(29)30-18-20(28)23-13-22(18,3)4)17(26)19(27)24-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t14-,16+,18-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50165424
PNG
((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)OCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H30N2O6/c1-5-6-12-16(24-21(28)30-18-20(27)29-13-22(18,3)4)17(25)19(26)23-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,28)/t14-,16+,18-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50165423
PNG
(CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13|
Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50165420
PNG
(CHEMBL197509 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)|
Show InChI InChI=1S/C26H36N2O4/c1-3-4-10-22(23(29)25(30)27-16(2)19-8-6-5-7-9-19)28-26(31)32-24-20-12-17-11-18(14-20)15-21(24)13-17/h5-9,16-18,20-22,24H,3-4,10-15H2,1-2H3,(H,27,30)(H,28,31)/t16-,17?,18?,20?,21?,22+,24?/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50165424
PNG
((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)OCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H30N2O6/c1-5-6-12-16(24-21(28)30-18-20(27)29-13-22(18,3)4)17(25)19(26)23-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,28)/t14-,16+,18-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50165420
PNG
(CHEMBL197509 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)|
Show InChI InChI=1S/C26H36N2O4/c1-3-4-10-22(23(29)25(30)27-16(2)19-8-6-5-7-9-19)28-26(31)32-24-20-12-17-11-18(14-20)15-21(24)13-17/h5-9,16-18,20-22,24H,3-4,10-15H2,1-2H3,(H,27,30)(H,28,31)/t16-,17?,18?,20?,21?,22+,24?/m1/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50165427
PNG
(CHEMBL194068 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)NCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H31N3O5/c1-5-6-12-16(25-21(29)30-18-20(28)23-13-22(18,3)4)17(26)19(27)24-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t14-,16+,18-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50165426
PNG
(CHEMBL196298 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1CC2CCC1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:13.12|
Show InChI InChI=1S/C23H32N2O4/c1-3-4-10-19(25-23(28)29-20-14-16-11-12-18(20)13-16)21(26)22(27)24-15(2)17-8-6-5-7-9-17/h5-9,15-16,18-20H,3-4,10-14H2,1-2H3,(H,24,27)(H,25,28)/t15-,16?,18?,19+,20?/m1/s1
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50165426
PNG
(CHEMBL196298 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1CC2CCC1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:13.12|
Show InChI InChI=1S/C23H32N2O4/c1-3-4-10-19(25-23(28)29-20-14-16-11-12-18(20)13-16)21(26)22(27)24-15(2)17-8-6-5-7-9-17/h5-9,15-16,18-20H,3-4,10-14H2,1-2H3,(H,24,27)(H,25,28)/t15-,16?,18?,19+,20?/m1/s1
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n/an/a 26n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))		BDBM50165427
PNG
(CHEMBL194068 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)NCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H31N3O5/c1-5-6-12-16(25-21(29)30-18-20(28)23-13-22(18,3)4)17(26)19(27)24-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t14-,16+,18-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50165423
PNG
(CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13|
Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/m1/s1
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n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50165425
PNG
(CHEMBL195963 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c1-3-4-16-22(24(29)25(30)27-18(2)19-11-6-5-7-12-19)28-26(31)32-23-17-10-14-20-13-8-9-15-21(20)23/h5-9,11-13,15,18,22-23H,3-4,10,14,16-17H2,1-2H3,(H,27,30)(H,28,31)/t18-,22+,23+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50165421
PNG
(CHEMBL371749 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1C[C@@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17+,18-,20-,21+/m1/s1
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))		BDBM50165424
PNG
((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)OCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H30N2O6/c1-5-6-12-16(24-21(28)30-18-20(27)29-13-22(18,3)4)17(25)19(26)23-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,28)/t14-,16+,18-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50165425
PNG
(CHEMBL195963 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c1-3-4-16-22(24(29)25(30)27-18(2)19-11-6-5-7-12-19)28-26(31)32-23-17-10-14-20-13-8-9-15-21(20)23/h5-9,11-13,15,18,22-23H,3-4,10,14,16-17H2,1-2H3,(H,27,30)(H,28,31)/t18-,22+,23+/m1/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50165427
PNG
(CHEMBL194068 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)NCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H31N3O5/c1-5-6-12-16(25-21(29)30-18-20(28)23-13-22(18,3)4)17(26)19(27)24-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t14-,16+,18-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))		BDBM50165423
PNG
(CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13|
Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))		BDBM50165426
PNG
(CHEMBL196298 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1CC2CCC1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:13.12|
Show InChI InChI=1S/C23H32N2O4/c1-3-4-10-19(25-23(28)29-20-14-16-11-12-18(20)13-16)21(26)22(27)24-15(2)17-8-6-5-7-9-17/h5-9,15-16,18-20H,3-4,10-14H2,1-2H3,(H,24,27)(H,25,28)/t15-,16?,18?,19+,20?/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50165422
PNG
(CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50165422
PNG
(CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))		BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))		BDBM50165425
PNG
(CHEMBL195963 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c1-3-4-16-22(24(29)25(30)27-18(2)19-11-6-5-7-12-19)28-26(31)32-23-17-10-14-20-13-8-9-15-21(20)23/h5-9,11-13,15,18,22-23H,3-4,10,14,16-17H2,1-2H3,(H,27,30)(H,28,31)/t18-,22+,23+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50165421
PNG
(CHEMBL371749 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1C[C@@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17+,18-,20-,21+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))		BDBM50165420
PNG
(CHEMBL197509 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)|
Show InChI InChI=1S/C26H36N2O4/c1-3-4-10-22(23(29)25(30)27-16(2)19-8-6-5-7-9-19)28-26(31)32-24-20-12-17-11-18(14-20)15-21(24)13-17/h5-9,16-18,20-22,24H,3-4,10-15H2,1-2H3,(H,27,30)(H,28,31)/t16-,17?,18?,20?,21?,22+,24?/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50165424
PNG
((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)OCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H30N2O6/c1-5-6-12-16(24-21(28)30-18-20(27)29-13-22(18,3)4)17(25)19(26)23-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,28)/t14-,16+,18-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50165424
PNG
((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)OCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H30N2O6/c1-5-6-12-16(24-21(28)30-18-20(27)29-13-22(18,3)4)17(25)19(26)23-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,28)/t14-,16+,18-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50165424
PNG
((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)OCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H30N2O6/c1-5-6-12-16(24-21(28)30-18-20(27)29-13-22(18,3)4)17(25)19(26)23-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,28)/t14-,16+,18-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


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

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50165425
PNG
(CHEMBL195963 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c1-3-4-16-22(24(29)25(30)27-18(2)19-11-6-5-7-12-19)28-26(31)32-23-17-10-14-20-13-8-9-15-21(20)23/h5-9,11-13,15,18,22-23H,3-4,10,14,16-17H2,1-2H3,(H,27,30)(H,28,31)/t18-,22+,23+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50165426
PNG
(CHEMBL196298 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1CC2CCC1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:13.12|
Show InChI InChI=1S/C23H32N2O4/c1-3-4-10-19(25-23(28)29-20-14-16-11-12-18(20)13-16)21(26)22(27)24-15(2)17-8-6-5-7-9-17/h5-9,15-16,18-20H,3-4,10-14H2,1-2H3,(H,24,27)(H,25,28)/t15-,16?,18?,19+,20?/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50139484
PNG
(CHEMBL162812 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C20H30N2O4/c1-6-7-13-16(22-19(25)26-20(3,4)5)17(23)18(24)21-14(2)15-11-9-8-10-12-15/h8-12,14,16H,6-7,13H2,1-5H3,(H,21,24)(H,22,25)/t14-,16+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50165427
PNG
(CHEMBL194068 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)NCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H31N3O5/c1-5-6-12-16(25-21(29)30-18-20(28)23-13-22(18,3)4)17(26)19(27)24-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t14-,16+,18-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50165423
PNG
(CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13|
Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50165425
PNG
(CHEMBL195963 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c1-3-4-16-22(24(29)25(30)27-18(2)19-11-6-5-7-12-19)28-26(31)32-23-17-10-14-20-13-8-9-15-21(20)23/h5-9,11-13,15,18,22-23H,3-4,10,14,16-17H2,1-2H3,(H,27,30)(H,28,31)/t18-,22+,23+/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50165425
PNG
(CHEMBL195963 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c1-3-4-16-22(24(29)25(30)27-18(2)19-11-6-5-7-12-19)28-26(31)32-23-17-10-14-20-13-8-9-15-21(20)23/h5-9,11-13,15,18,22-23H,3-4,10,14,16-17H2,1-2H3,(H,27,30)(H,28,31)/t18-,22+,23+/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))		BDBM50165422
PNG
(CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50165420
PNG
(CHEMBL197509 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)|
Show InChI InChI=1S/C26H36N2O4/c1-3-4-10-22(23(29)25(30)27-16(2)19-8-6-5-7-9-19)28-26(31)32-24-20-12-17-11-18(14-20)15-21(24)13-17/h5-9,16-18,20-22,24H,3-4,10-15H2,1-2H3,(H,27,30)(H,28,31)/t16-,17?,18?,20?,21?,22+,24?/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))		BDBM50165421
PNG
(CHEMBL371749 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1C[C@@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17+,18-,20-,21+/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50165421
PNG
(CHEMBL371749 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1C[C@@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17+,18-,20-,21+/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50165420
PNG
(CHEMBL197509 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)|
Show InChI InChI=1S/C26H36N2O4/c1-3-4-10-22(23(29)25(30)27-16(2)19-8-6-5-7-9-19)28-26(31)32-24-20-12-17-11-18(14-20)15-21(24)13-17/h5-9,16-18,20-22,24H,3-4,10-15H2,1-2H3,(H,27,30)(H,28,31)/t16-,17?,18?,20?,21?,22+,24?/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50165420
PNG
(CHEMBL197509 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)|
Show InChI InChI=1S/C26H36N2O4/c1-3-4-10-22(23(29)25(30)27-16(2)19-8-6-5-7-9-19)28-26(31)32-24-20-12-17-11-18(14-20)15-21(24)13-17/h5-9,16-18,20-22,24H,3-4,10-15H2,1-2H3,(H,27,30)(H,28,31)/t16-,17?,18?,20?,21?,22+,24?/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50165422
PNG
(CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50165423
PNG
(CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13|
Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50165427
PNG
(CHEMBL194068 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)NCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H31N3O5/c1-5-6-12-16(25-21(29)30-18-20(28)23-13-22(18,3)4)17(26)19(27)24-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t14-,16+,18-/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50165421
PNG
(CHEMBL371749 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1C[C@@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17+,18-,20-,21+/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50165426
PNG
(CHEMBL196298 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1CC2CCC1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:13.12|
Show InChI InChI=1S/C23H32N2O4/c1-3-4-10-19(25-23(28)29-20-14-16-11-12-18(20)13-16)21(26)22(27)24-15(2)17-8-6-5-7-9-17/h5-9,15-16,18-20H,3-4,10-14H2,1-2H3,(H,24,27)(H,25,28)/t15-,16?,18?,19+,20?/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50165421
PNG
(CHEMBL371749 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1C[C@@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17+,18-,20-,21+/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50165422
PNG
(CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50165428
PNG
(CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50165422
PNG
(CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50165426
PNG
(CHEMBL196298 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1CC2CCC1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:13.12|
Show InChI InChI=1S/C23H32N2O4/c1-3-4-10-19(25-23(28)29-20-14-16-11-12-18(20)13-16)21(26)22(27)24-15(2)17-8-6-5-7-9-17/h5-9,15-16,18-20H,3-4,10-14H2,1-2H3,(H,24,27)(H,25,28)/t15-,16?,18?,19+,20?/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50165423
PNG
(CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13|
Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/m1/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%