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Compile Data Set for Download or QSAR

Found 140 hits Enz. Inhib. hit(s) with Target = 'Cathepsin A ' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
BDBM193603
PNG
(US9199947, 101)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1cc(F)ccc1F
Show InChI InChI=1/C19H14ClF2NO2S/c1-10-9-23-19(26-10)16(8-18(24)25)12-4-11(5-13(20)6-12)15-7-14(21)2-3-17(15)22/h2-7,9,16H,8H2,1H3,(H,24,25)
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n/an/a 136n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193604
PNG
(US9199947, 102)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1cccc(C)c1F
Show InChI InChI=1/C20H17ClFNO2S/c1-11-4-3-5-16(19(11)22)13-6-14(8-15(21)7-13)17(9-18(24)25)20-23-10-12(2)26-20/h3-8,10,17H,9H2,1-2H3,(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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193605
PNG
(US9199947, 103)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1cccc(Cl)c1F
Show InChI InChI=1/C19H14Cl2FNO2S/c1-10-9-23-19(26-10)15(8-17(24)25)12-5-11(6-13(20)7-12)14-3-2-4-16(21)18(14)22/h2-7,9,15H,8H2,1H3,(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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM183842
PNG
(US9150526, 95 | US9199947, 104)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1/C20H15ClF3NO3S/c1-11-10-25-19(29-11)16(9-18(26)27)13-6-12(7-14(21)8-13)15-4-2-3-5-17(15)28-20(22,23)24/h2-8,10,16H,9H2,1H3,(H,26,27)
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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)

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=1/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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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193606
PNG
(US9199947, 105)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1cc(C)ccc1F
Show InChI InChI=1/C20H17ClFNO2S/c1-11-3-4-18(22)16(5-11)13-6-14(8-15(21)7-13)17(9-19(24)25)20-23-10-12(2)26-20/h3-8,10,17H,9H2,1-2H3,(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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193607
PNG
(US9199947, 106)
Show SMILES CC(=O)c1ccccc1-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C21H18ClNO3S/c1-12-11-23-21(27-12)19(10-20(25)26)15-7-14(8-16(22)9-15)18-6-4-3-5-17(18)13(2)24/h3-9,11,19H,10H2,1-2H3,(H,25,26)
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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193608
PNG
(US9199947, 107)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1ccccc1F
Show InChI InChI=1/C19H15ClFNO2S/c1-11-10-22-19(25-11)16(9-18(23)24)13-6-12(7-14(20)8-13)15-4-2-3-5-17(15)21/h2-8,10,16H,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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193609
PNG
(US9199947, 108)
Show SMILES COc1cc(F)c(c(F)c1)-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C20H16ClF2NO3S/c1-10-9-24-20(28-10)15(8-18(25)26)11-3-12(5-13(21)4-11)19-16(22)6-14(27-2)7-17(19)23/h3-7,9,15H,8H2,1-2H3,(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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193610
PNG
(US9199947, 109)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1cccc(F)c1F
Show InChI InChI=1/C19H14ClF2NO2S/c1-10-9-23-19(26-10)15(8-17(24)25)12-5-11(6-13(20)7-12)14-3-2-4-16(21)18(14)22/h2-7,9,15H,8H2,1H3,(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)

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=1/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)
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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193611
PNG
(US9199947, 110)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1ccccc1C(N)=O
Show InChI InChI=1/C20H17ClN2O3S/c1-11-10-23-20(27-11)17(9-18(24)25)13-6-12(7-14(21)8-13)15-4-2-3-5-16(15)19(22)26/h2-8,10,17H,9H2,1H3,(H2,22,26)(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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193612
PNG
(US9199947, 111)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C20H15ClF3NO3S/c1-11-10-25-19(29-11)17(9-18(26)27)14-5-13(6-15(21)7-14)12-3-2-4-16(8-12)28-20(22,23)24/h2-8,10,17H,9H2,1H3,(H,26,27)
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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193619
PNG
(US9199947, 118)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(F)cc(c1)-c1cc(C)ccc1F
Show InChI InChI=1/C20H17F2NO2S/c1-11-3-4-18(22)16(5-11)13-6-14(8-15(21)7-13)17(9-19(24)25)20-23-10-12(2)26-20/h3-8,10,17H,9H2,1-2H3,(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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193613
PNG
(US9199947, 112)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1ccncc1
Show InChI InChI=1/C18H15ClN2O2S/c1-11-10-21-18(24-11)16(9-17(22)23)14-6-13(7-15(19)8-14)12-2-4-20-5-3-12/h2-8,10,16H,9H2,1H3,(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)

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=1/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)
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n/an/a 466n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193620
PNG
(US9199947, 119)
Show SMILES Cc1cccc(-c2cc(F)cc(c2)C(CC(O)=O)c2ncco2)c1F
Show InChI InChI=1/C19H15F2NO3/c1-11-3-2-4-15(18(11)21)12-7-13(9-14(20)8-12)16(10-17(23)24)19-22-5-6-25-19/h2-9,16H,10H2,1H3,(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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193614
PNG
(US9199947, 113)
Show SMILES COc1ccc(c(F)c1)-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C20H17ClFNO3S/c1-11-10-23-20(27-11)17(9-19(24)25)13-5-12(6-14(21)7-13)16-4-3-15(26-2)8-18(16)22/h3-8,10,17H,9H2,1-2H3,(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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193615
PNG
(US9199947, 114)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1ccccc1C#N
Show InChI InChI=1/C20H15ClN2O2S/c1-12-11-23-20(26-12)18(9-19(24)25)15-6-14(7-16(21)8-15)17-5-3-2-4-13(17)10-22/h2-8,11,18H,9H2,1H3,(H,24,25)
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n/an/a 567n/an/an/an/an/an/a



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)

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=1/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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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193558
PNG
(US9199947, 53)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cccc(c1)-c1ccccc1F
Show InChI InChI=1/C19H16FNO2S/c1-12-11-21-19(24-12)16(10-18(22)23)14-6-4-5-13(9-14)15-7-2-3-8-17(15)20/h2-9,11,16H,10H2,1H3,(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)

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=1/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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193621
PNG
(US9199947, 120)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(F)cc(c1)-c1cc(F)ccc1F
Show InChI InChI=1/C19H14F3NO2S/c1-10-9-23-19(26-10)16(8-18(24)25)12-4-11(5-14(21)6-12)15-7-13(20)2-3-17(15)22/h2-7,9,16H,8H2,1H3,(H,24,25)
PDB

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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193622
PNG
(US9199947, 121)
Show SMILES CC(=O)c1ccccc1-c1cc(F)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C21H18FNO3S/c1-12-11-23-21(27-12)19(10-20(25)26)15-7-14(8-16(22)9-15)18-6-4-3-5-17(18)13(2)24/h3-9,11,19H,10H2,1-2H3,(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)

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=1/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/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193623
PNG
(US9199947, 122)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(F)cc(c1)-c1ccccc1F
Show InChI InChI=1/C19H15F2NO2S/c1-11-10-22-19(25-11)16(9-18(23)24)13-6-12(7-14(20)8-13)15-4-2-3-5-17(15)21/h2-8,10,16H,9H2,1H3,(H,23,24)
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n/an/a 780n/an/an/an/an/an/a



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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)

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=1/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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n/an/a 784n/an/an/an/an/an/a



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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)

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=1/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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n/an/a 797n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193624
PNG
(US9199947, 123)
Show SMILES Cc1ccc(F)c(c1)-c1cc(F)cc(c1)C(CC(O)=O)c1ncco1
Show InChI InChI=1/C19H15F2NO3/c1-11-2-3-17(21)15(6-11)12-7-13(9-14(20)8-12)16(10-18(23)24)19-22-4-5-25-19/h2-9,16H,10H2,1H3,(H,23,24)
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n/an/a 903n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193645
PNG
(US9199947, 167)
Show SMILES Cc1nnc(o1)C(CC(O)=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C18H16N2O3/c1-12-19-20-18(23-12)16(11-17(21)22)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,21,22)
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n/an/a 935n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193566
PNG
(US9199947, 61)
Show SMILES COc1ccc(cc1C(CC(O)=O)c1ncc(C)s1)-c1cccc(Cl)c1F
Show InChI InChI=1/C20H17ClFNO3S/c1-11-10-23-20(27-11)15(9-18(24)25)14-8-12(6-7-17(14)26-2)13-4-3-5-16(21)19(13)22/h3-8,10,15H,9H2,1-2H3,(H,24,25)
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n/an/a 954n/an/an/an/an/an/a



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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)

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=1/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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n/an/a 967n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193567
PNG
(US9199947, 62)
Show SMILES COc1ccc(cc1C(CC(O)=O)c1ncc(C)s1)-c1ccc(C)cc1F
Show InChI InChI=1/C21H20FNO3S/c1-12-4-6-15(18(22)8-12)14-5-7-19(26-3)16(9-14)17(10-20(24)25)21-23-11-13(2)27-21/h4-9,11,17H,10H2,1-3H3,(H,24,25)
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n/an/a 970n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193568
PNG
(US9199947, 63)
Show SMILES COc1ccc(cc1C(CC(O)=O)c1ncc(C)s1)-c1cc(F)ccc1F
Show InChI InChI=1/C20H17F2NO3S/c1-11-10-23-20(27-11)16(9-19(24)25)15-7-12(3-6-18(15)26-2)14-8-13(21)4-5-17(14)22/h3-8,10,16H,9H2,1-2H3,(H,24,25)
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n/an/a 975n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193625
PNG
(US9199947, 124)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(F)cc(c1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C20H15F4NO3S/c1-11-10-25-19(29-11)17(9-18(26)27)14-5-13(6-15(21)7-14)12-3-2-4-16(8-12)28-20(22,23)24/h2-8,10,17H,9H2,1H3,(H,26,27)
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n/an/a 975n/an/an/an/an/an/a



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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)

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=1/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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n/an/a 987n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193559
PNG
(US9199947, 54)
Show SMILES COc1ccc(c(F)c1)-c1cccc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C20H18FNO3S/c1-12-11-22-20(26-12)17(10-19(23)24)14-5-3-4-13(8-14)16-7-6-15(25-2)9-18(16)21/h3-9,11,17H,10H2,1-2H3,(H,23,24)
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n/an/a 989n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193616
PNG
(US9199947, 115)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(Cl)cc(c1)-c1cccnc1
Show InChI InChI=1/C18H15ClN2O2S/c1-11-9-21-18(24-11)16(8-17(22)23)14-5-13(6-15(19)7-14)12-3-2-4-20-10-12/h2-7,9-10,16H,8H2,1H3,(H,22,23)
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n/an/a 1.06E+3n/an/an/an/an/an/a



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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)

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=1/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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n/an/a 1.11E+3n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193626
PNG
(US9199947, 125)
Show SMILES Cc1ccc(c(F)c1)-c1cc(F)cc(c1)C(CC(O)=O)c1ncco1
Show InChI InChI=1/C19H15F2NO3/c1-11-2-3-15(17(21)6-11)12-7-13(9-14(20)8-12)16(10-18(23)24)19-22-4-5-25-19/h2-9,16H,10H2,1H3,(H,23,24)
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n/an/a 1.16E+3n/an/an/an/an/an/a



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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)

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=1/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/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193569
PNG
(US9199947, 64)
Show SMILES COc1ccc(cc1C(CC(O)=O)c1ncc(C)s1)-c1cc(F)ccc1C
Show InChI InChI=1/C21H20FNO3S/c1-12-4-6-15(22)9-16(12)14-5-7-19(26-3)17(8-14)18(10-20(24)25)21-23-11-13(2)27-21/h4-9,11,18H,10H2,1-3H3,(H,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193627
PNG
(US9199947, 126)
Show SMILES COc1cc(F)c(c(F)c1)-c1cc(F)cc(c1)C(CC(O)=O)c1ncco1
Show InChI InChI=1/C19H14F3NO4/c1-26-13-7-15(21)18(16(22)8-13)11-4-10(5-12(20)6-11)14(9-17(24)25)19-23-2-3-27-19/h2-8,14H,9H2,1H3,(H,24,25)
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n/an/a 1.22E+3n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193570
PNG
(US9199947, 65)
Show SMILES COc1ccc(cc1C(CC(O)=O)c1ncc(C)s1)-c1cc(Cl)ccc1F
Show InChI InChI=1/C20H17ClFNO3S/c1-11-10-23-20(27-11)16(9-19(24)25)15-7-12(3-6-18(15)26-2)14-8-13(21)4-5-17(14)22/h3-8,10,16H,9H2,1-2H3,(H,24,25)
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n/an/a 1.23E+3n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193628
PNG
(US9199947, 127)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(F)cc(c1)-c1ccccc1C(N)=O
Show InChI InChI=1/C20H17FN2O3S/c1-11-10-23-20(27-11)17(9-18(24)25)13-6-12(7-14(21)8-13)15-4-2-3-5-16(15)19(22)26/h2-8,10,17H,9H2,1H3,(H2,22,26)(H,24,25)
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n/an/a 1.23E+3n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193571
PNG
(US9199947, 66)
Show SMILES COc1ccc(cc1C(CC(O)=O)c1ncc(C)s1)-c1cc(F)ccc1Cl
Show InChI InChI=1/C20H17ClFNO3S/c1-11-10-23-20(27-11)16(9-19(24)25)15-7-12(3-6-18(15)26-2)14-8-13(22)4-5-17(14)21/h3-8,10,16H,9H2,1-2H3,(H,24,25)
PDB

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n/an/a 1.25E+3n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193572
PNG
(US9199947, 67)
Show SMILES COc1ccc(cc1C(CC(O)=O)c1ncc(C)s1)-c1cccc(Cl)c1C
Show InChI InChI=1/C21H20ClNO3S/c1-12-11-23-21(27-12)17(10-20(24)25)16-9-14(7-8-19(16)26-3)15-5-4-6-18(22)13(15)2/h4-9,11,17H,10H2,1-3H3,(H,24,25)
PDB

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n/an/a 1.31E+3n/an/an/an/an/an/a



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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)

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=1/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)
PDB

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n/an/a 1.32E+3n/an/an/an/an/an/a



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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)

More data for this
Ligand-Target Pair
Cathepsin A


(Homo sapiens (Human))
BDBM193629
PNG
(US9199947, 128)
Show SMILES Cc1cnc(s1)C(CC(O)=O)c1cc(F)cc(c1)-c1cccnc1
Show InChI InChI=1/C18H15FN2O2S/c1-11-9-21-18(24-11)16(8-17(22)23)14-5-13(6-15(19)7-14)12-3-2-4-20-10-12/h2-7,9-10,16H,8H2,1H3,(H,22,23)
PDB

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n/an/a 1.33E+3n/an/an/an/an/an/a



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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)

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=1/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)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 1.39E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
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