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Compile Data Set for Download or QSAR

Found 140 hits of ph data with Target = 'Cathepsin A'   
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 A


(Homo sapiens (Human))
BDBM193508
PNG
(US9199947, 1)
Show SMILES CC(C)(C)c1cccc(c1)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C22H23NO2S/c1-22(2,3)18-9-5-7-16(13-18)15-6-4-8-17(12-15)19(14-20(24)25)21-23-10-11-26-21/h4-13,19H,14H2,1-3H3,(H,24,25)
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n/an/a 1.89E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193509
PNG
(US9199947, 2)
Show SMILES Cc1nc(sc1C)C(CC(O)=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H14BrNO2S/c1-8-9(2)19-14(16-8)12(7-13(17)18)10-4-3-5-11(15)6-10/h3-6,12H,7H2,1-2H3,(H,17,18)
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n/an/a 7.78E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193510
PNG
(US9199947, 3)
Show SMILES Cc1cccc(c1)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C19H17NO2S/c1-13-4-2-5-14(10-13)15-6-3-7-16(11-15)17(12-18(21)22)19-20-8-9-23-19/h2-11,17H,12H2,1H3,(H,21,22)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193511
PNG
(US9199947, 4)
Show SMILES Cc1cccc(-c2cccc(c2)C(CC(O)=O)c2nccs2)c1Cl
Show InChI InChI=1S/C19H16ClNO2S/c1-12-4-2-7-15(18(12)20)13-5-3-6-14(10-13)16(11-17(22)23)19-21-8-9-24-19/h2-10,16H,11H2,1H3,(H,22,23)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193512
PNG
(US9199947, 5)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H14ClNO2S/c19-15-6-2-4-13(10-15)12-3-1-5-14(9-12)16(11-17(21)22)18-20-7-8-23-18/h1-10,16H,11H2,(H,21,22)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193513
PNG
(US9199947, 6)
Show SMILES Cc1c(Cl)cccc1-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C19H16ClNO2S/c1-12-15(6-3-7-17(12)20)13-4-2-5-14(10-13)16(11-18(22)23)19-21-8-9-24-19/h2-10,16H,11H2,1H3,(H,22,23)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193514
PNG
(US9199947, 7)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO2S/c19-15-6-4-12(5-7-15)13-2-1-3-14(10-13)16(11-17(21)22)18-20-8-9-23-18/h1-10,16H,11H2,(H,21,22)
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n/an/a 1.75E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193515
PNG
(US9199947, 8)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccccc1Cl
Show InChI InChI=1S/C18H14ClNO2S/c19-16-7-2-1-6-14(16)12-4-3-5-13(10-12)15(11-17(21)22)18-20-8-9-23-18/h1-10,15H,11H2,(H,21,22)
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n/an/a 2.04E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193516
PNG
(US9199947, 9)
Show SMILES Cc1cccc(-c2cccc(c2)C(CC(O)=O)c2nccs2)c1C
Show InChI InChI=1S/C20H19NO2S/c1-13-5-3-8-17(14(13)2)15-6-4-7-16(11-15)18(12-19(22)23)20-21-9-10-24-20/h3-11,18H,12H2,1-2H3,(H,22,23)
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n/an/a 2.48E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193517
PNG
(US9199947, 10)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H15NO2S/c20-17(21)12-16(18-19-9-10-22-18)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-11,16H,12H2,(H,20,21)
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n/an/a 2.59E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193518
PNG
(US9199947, 11)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1cccc(F)c1Cl
Show InChI InChI=1S/C18H13ClFNO2S/c19-17-13(5-2-6-15(17)20)11-3-1-4-12(9-11)14(10-16(22)23)18-21-7-8-24-18/h1-9,14H,10H2,(H,22,23)
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n/an/a 2.72E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193519
PNG
(US9199947, 12)
Show SMILES Cc1ccccc1-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C19H17NO2S/c1-13-5-2-3-8-16(13)14-6-4-7-15(11-14)17(12-18(21)22)19-20-9-10-23-19/h2-11,17H,12H2,1H3,(H,21,22)
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n/an/a 3.54E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193520
PNG
(US9199947, 13)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C19H13F4NO2S/c20-16-5-4-13(19(21,22)23)9-14(16)11-2-1-3-12(8-11)15(10-17(25)26)18-24-6-7-27-18/h1-9,15H,10H2,(H,25,26)
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n/an/a 3.62E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193521
PNG
(US9199947, 14)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14FNO2S/c19-15-6-4-12(5-7-15)13-2-1-3-14(10-13)16(11-17(21)22)18-20-8-9-23-18/h1-10,16H,11H2,(H,21,22)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193522
PNG
(US9199947, 15)
Show SMILES Cc1nnc(o1)C(CC(O)=O)c1cccc(c1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H14Cl2N2O3/c1-10-21-22-18(25-10)14(9-16(23)24)12-5-2-4-11(8-12)13-6-3-7-15(19)17(13)20/h2-8,14H,9H2,1H3,(H,23,24)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193523
PNG
(US9199947, 148 | US9199947, 16)
Show SMILES Cc1nnc(o1)C(CC(O)=O)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-11-19-20-17(23-11)15(10-16(21)22)14-4-2-3-13(9-14)12-5-7-18-8-6-12/h2-9,15H,10H2,1H3,(H,21,22)
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n/an/a 2.32E+4n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193524
PNG
(US9199947, 17)
Show SMILES COc1cccc(c1F)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C19H16FNO3S/c1-24-16-7-3-6-14(18(16)20)12-4-2-5-13(10-12)15(11-17(22)23)19-21-8-9-25-19/h2-10,15H,11H2,1H3,(H,22,23)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193525
PNG
(US9199947, 18)
Show SMILES Cn1nc(-c2cccc(c2)C(CC(O)=O)c2nccs2)c2ccccc12
Show InChI InChI=1S/C20H17N3O2S/c1-23-17-8-3-2-7-15(17)19(22-23)14-6-4-5-13(11-14)16(12-18(24)25)20-21-9-10-26-20/h2-11,16H,12H2,1H3,(H,24,25)
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n/an/a 769n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193526
PNG
(US9199947, 19)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H17NO4S/c22-19(23)12-16(20-21-6-9-26-20)15-3-1-2-13(10-15)14-4-5-17-18(11-14)25-8-7-24-17/h1-6,9-11,16H,7-8,12H2,(H,22,23)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193527
PNG
(US9199947, 20)
Show SMILES CCCOc1ccc(F)c(c1)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C21H20FNO3S/c1-2-9-26-16-6-7-19(22)17(12-16)14-4-3-5-15(11-14)18(13-20(24)25)21-23-8-10-27-21/h3-8,10-12,18H,2,9,13H2,1H3,(H,24,25)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193528
PNG
(US9199947, 21)
Show SMILES COc1cccc(c1)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C19H17NO3S/c1-23-16-7-3-5-14(11-16)13-4-2-6-15(10-13)17(12-18(21)22)19-20-8-9-24-19/h2-11,17H,12H2,1H3,(H,21,22)
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n/an/a 1.18E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193529
PNG
(US9199947, 22)
Show SMILES COc1cc(F)c(cc1F)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C19H15F2NO3S/c1-25-17-10-15(20)13(8-16(17)21)11-3-2-4-12(7-11)14(9-18(23)24)19-22-5-6-26-19/h2-8,10,14H,9H2,1H3,(H,23,24)
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n/an/a 1.32E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193530
PNG
(US9199947, 23)
Show SMILES Nc1ccc(c(F)n1)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C17H14FN3O2S/c18-16-12(4-5-14(19)21-16)10-2-1-3-11(8-10)13(9-15(22)23)17-20-6-7-24-17/h1-8,13H,9H2,(H2,19,21)(H,22,23)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193531
PNG
(US9199947, 24)
Show SMILES CCOc1cccc(c1)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C20H19NO3S/c1-2-24-17-8-4-6-15(12-17)14-5-3-7-16(11-14)18(13-19(22)23)20-21-9-10-25-20/h3-12,18H,2,13H2,1H3,(H,22,23)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193532
PNG
(US9199947, 25)
Show SMILES COc1c(C)cc(cc1C)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C21H21NO3S/c1-13-9-17(10-14(2)20(13)25-3)15-5-4-6-16(11-15)18(12-19(23)24)21-22-7-8-26-21/h4-11,18H,12H2,1-3H3,(H,23,24)
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n/an/a 1.65E+3n/an/an/an/a5.525



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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193533
PNG
(US9199947, 26)
Show SMILES CCCOc1cccc(c1)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C21H21NO3S/c1-2-10-25-18-8-4-6-16(13-18)15-5-3-7-17(12-15)19(14-20(23)24)21-22-9-11-26-21/h3-9,11-13,19H,2,10,14H2,1H3,(H,23,24)
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n/an/a 1.67E+3n/an/an/an/a5.525



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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193534
PNG
(US9199947, 27)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1cccc(OCC#N)c1
Show InChI InChI=1S/C20H16N2O3S/c21-7-9-25-17-6-2-4-15(12-17)14-3-1-5-16(11-14)18(13-19(23)24)20-22-8-10-26-20/h1-6,8,10-12,18H,9,13H2,(H,23,24)
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n/an/a 1.94E+3n/an/an/an/a5.525



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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193535
PNG
(US9199947, 28)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H14F3NO3S/c20-19(21,22)26-15-6-2-4-13(10-15)12-3-1-5-14(9-12)16(11-17(24)25)18-23-7-8-27-18/h1-10,16H,11H2,(H,24,25)
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n/an/a 2.25E+3n/an/an/an/a5.525



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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193536
PNG
(US9199947, 29)
Show SMILES COc1cc(ccc1O)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C19H17NO4S/c1-24-17-10-13(5-6-16(17)21)12-3-2-4-14(9-12)15(11-18(22)23)19-20-7-8-25-19/h2-10,15,21H,11H2,1H3,(H,22,23)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193537
PNG
(US9199947, 30)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccc(OCC2CC2)cc1
Show InChI InChI=1S/C22H21NO3S/c24-21(25)13-20(22-23-10-11-27-22)18-3-1-2-17(12-18)16-6-8-19(9-7-16)26-14-15-4-5-15/h1-3,6-12,15,20H,4-5,13-14H2,(H,24,25)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193538
PNG
(US9199947, 31)
Show SMILES CC(C)COc1cc(F)cc(c1)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C22H22FNO3S/c1-14(2)13-27-19-10-17(9-18(23)11-19)15-4-3-5-16(8-15)20(12-21(25)26)22-24-6-7-28-22/h3-11,14,20H,12-13H2,1-2H3,(H,25,26)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193539
PNG
(US9199947, 32)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccc(OCC#N)cc1
Show InChI InChI=1S/C20H16N2O3S/c21-8-10-25-17-6-4-14(5-7-17)15-2-1-3-16(12-15)18(13-19(23)24)20-22-9-11-26-20/h1-7,9,11-12,18H,10,13H2,(H,23,24)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193540
PNG
(US9199947, 33)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccc(OCc2ccccc2)c(F)c1
Show InChI InChI=1S/C25H20FNO3S/c26-22-14-19(9-10-23(22)30-16-17-5-2-1-3-6-17)18-7-4-8-20(13-18)21(15-24(28)29)25-27-11-12-31-25/h1-14,21H,15-16H2,(H,28,29)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193541
PNG
(US9199947, 34)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1cccc(OCC(F)(F)F)c1
Show InChI InChI=1S/C20H16F3NO3S/c21-20(22,23)12-27-16-6-2-4-14(10-16)13-3-1-5-15(9-13)17(11-18(25)26)19-24-7-8-28-19/h1-10,17H,11-12H2,(H,25,26)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193542
PNG
(US9199947, 35)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C25H21NO3S/c27-24(28)16-23(25-26-12-13-30-25)21-10-4-8-19(14-21)20-9-5-11-22(15-20)29-17-18-6-2-1-3-7-18/h1-15,23H,16-17H2,(H,27,28)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193543
PNG
(US9199947, 36)
Show SMILES CC(C)COc1ccc(cc1)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C22H23NO3S/c1-15(2)14-26-19-8-6-16(7-9-19)17-4-3-5-18(12-17)20(13-21(24)25)22-23-10-11-27-22/h3-12,15,20H,13-14H2,1-2H3,(H,24,25)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193544
PNG
(US9199947, 37)
Show SMILES COc1ccc(C=O)c(c1)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C20H17NO4S/c1-25-16-6-5-15(12-22)17(10-16)13-3-2-4-14(9-13)18(11-19(23)24)20-21-7-8-26-20/h2-10,12,18H,11H2,1H3,(H,23,24)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193545
PNG
(US9199947, 38)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccc(Cl)c(OCc2ccccc2)c1
Show InChI InChI=1S/C25H20ClNO3S/c26-22-10-9-19(14-23(22)30-16-17-5-2-1-3-6-17)18-7-4-8-20(13-18)21(15-24(28)29)25-27-11-12-31-25/h1-14,21H,15-16H2,(H,28,29)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193546
PNG
(US9199947, 39)
Show SMILES COc1ccc(cn1)-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C18H16N2O3S/c1-23-16-6-5-14(11-20-16)12-3-2-4-13(9-12)15(10-17(21)22)18-19-7-8-24-18/h2-9,11,15H,10H2,1H3,(H,21,22)
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n/an/a 8.35E+3n/an/an/an/a5.525



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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193547
PNG
(US9199947, 40)
Show SMILES Cc1cc(-c2cccc(c2)C(CC(O)=O)c2nccs2)n(C)n1
Show InChI InChI=1S/C17H17N3O2S/c1-11-8-15(20(2)19-11)13-5-3-4-12(9-13)14(10-16(21)22)17-18-6-7-23-17/h3-9,14H,10H2,1-2H3,(H,21,22)
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n/an/a 9.54E+3n/an/an/an/a5.525



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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193548
PNG
(US9199947, 41)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1cccnc1Cl
Show InChI InChI=1S/C17H13ClN2O2S/c18-16-13(5-2-6-19-16)11-3-1-4-12(9-11)14(10-15(21)22)17-20-7-8-23-17/h1-9,14H,10H2,(H,21,22)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193549
PNG
(US9199947, 42)
Show SMILES Cn1nccc1-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1S/C16H15N3O2S/c1-19-14(5-6-18-19)12-4-2-3-11(9-12)13(10-15(20)21)16-17-7-8-22-16/h2-9,13H,10H2,1H3,(H,20,21)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193550
PNG
(US9199947, 43)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccncc1Cl
Show InChI InChI=1S/C17H13ClN2O2S/c18-15-10-19-5-4-13(15)11-2-1-3-12(8-11)14(9-16(21)22)17-20-6-7-23-17/h1-8,10,14H,9H2,(H,21,22)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193551
PNG
(US9199947, 44)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C17H14N2O2S/c20-16(21)10-15(17-19-7-8-22-17)13-4-1-3-12(9-13)14-5-2-6-18-11-14/h1-9,11,15H,10H2,(H,20,21)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193552
PNG
(US9199947, 45)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccc(nc1)C#N
Show InChI InChI=1S/C18H13N3O2S/c19-10-15-5-4-14(11-21-15)12-2-1-3-13(8-12)16(9-17(22)23)18-20-6-7-24-18/h1-8,11,16H,9H2,(H,22,23)
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Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193553
PNG
(US9199947, 46)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccnc(F)c1
Show InChI InChI=1S/C17H13FN2O2S/c18-15-9-12(4-5-19-15)11-2-1-3-13(8-11)14(10-16(21)22)17-20-6-7-23-17/h1-9,14H,10H2,(H,21,22)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193554
PNG
(US9199947, 47)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccncc1F
Show InChI InChI=1S/C17H13FN2O2S/c18-15-10-19-5-4-13(15)11-2-1-3-12(8-11)14(9-16(21)22)17-20-6-7-23-17/h1-8,10,14H,9H2,(H,21,22)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193555
PNG
(US9199947, 50)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cccc(c1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C19H15ClFNO2S/c1-11-10-22-19(25-11)16(9-18(23)24)13-4-2-3-12(7-13)15-8-14(20)5-6-17(15)21/h2-8,10,16H,9H2,1H3,(H,23,24)
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193556
PNG
(US9199947, 51)
Show SMILES COc1cccc(c1F)-c1cccc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1S/C20H18FNO3S/c1-12-11-22-20(26-12)16(10-18(23)24)14-6-3-5-13(9-14)15-7-4-8-17(25-2)19(15)21/h3-9,11,16H,10H2,1-2H3,(H,23,24)
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 397n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193557
PNG
(US9199947, 52)
Show SMILES COc1cc(F)c(cc1F)-c1cccc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1S/C20H17F2NO3S/c1-11-10-23-20(27-11)15(8-19(24)25)13-5-3-4-12(6-13)14-7-17(22)18(26-2)9-16(14)21/h3-7,9-10,15H,8H2,1-2H3,(H,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 466n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair
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