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Compile Data Set for Download or QSAR

Found 752 hits Enz. Inhib. hit(s) with Target = 'Cathepsin A (CTSA)'   
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 (CTSA)


(Homo sapiens (Human))
BDBM47313
PNG
(US9029559, 54)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)C1=CC=CC(N1)N1CCCCC1
Show InChI InChI=1S/C21H27N3O3/c1-15-8-3-4-9-16(15)18(14-20(25)26)23-21(27)17-10-7-11-19(22-17)24-12-5-2-6-13-24/h3-4,7-11,18-19,22H,2,5-6,12-14H2,1H3,(H,23,27)(H,25,26)/t18-,19?/m0/s1
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US Patent
n/an/a 8.93E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47314
PNG
(US9029559, 58)
Show SMILES COc1cc(cc(n1)-c1ccncc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C22H21N3O4/c1-14-5-3-4-6-17(14)19(13-21(26)27)25-22(28)16-11-18(24-20(12-16)29-2)15-7-9-23-10-8-15/h3-12,19H,13H2,1-2H3,(H,25,28)(H,26,27)/t19-/m0/s1
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n/an/a>3.00E+4n/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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47315
PNG
(US9029559, 59)
Show SMILES COc1cc(cc(n1)-c1cccnc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C22H21N3O4/c1-14-6-3-4-8-17(14)19(12-21(26)27)25-22(28)16-10-18(24-20(11-16)29-2)15-7-5-9-23-13-15/h3-11,13,19H,12H2,1-2H3,(H,25,28)(H,26,27)/t19-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47316
PNG
(US9029559, 215)
Show SMILES COc1ccc(nc1-c1ccncc1)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H21N3O4/c1-14-3-5-15(6-4-14)18(13-20(26)27)25-22(28)17-7-8-19(29-2)21(24-17)16-9-11-23-12-10-16/h3-12,18H,13H2,1-2H3,(H,25,28)(H,26,27)/t18-/m0/s1
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n/an/a 9.66E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47319
PNG
(US9029559, 216)
Show SMILES COc1ccc(nc1-c1cccnc1)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H21N3O4/c1-14-5-7-15(8-6-14)18(12-20(26)27)25-22(28)17-9-10-19(29-2)21(24-17)16-4-3-11-23-13-16/h3-11,13,18H,12H2,1-2H3,(H,25,28)(H,26,27)/t18-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47321
PNG
(US9029559, 227)
Show SMILES COc1ccc(nc1-c1ccc(F)nc1)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H20FN3O4/c1-13-3-5-14(6-4-13)17(11-20(27)28)26-22(29)16-8-9-18(30-2)21(25-16)15-7-10-19(23)24-12-15/h3-10,12,17H,11H2,1-2H3,(H,26,29)(H,27,28)/t17-/m0/s1
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n/an/a 7.63E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47323
PNG
(US9029559, 229)
Show SMILES COc1ccc(nc1-c1ccc(F)nc1OC)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H22FN3O5/c1-13-4-6-14(7-5-13)17(12-20(28)29)26-22(30)16-9-10-18(31-2)21(25-16)15-8-11-19(24)27-23(15)32-3/h4-11,17H,12H2,1-3H3,(H,26,30)(H,28,29)/t17-/m0/s1
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n/an/a 609n/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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47324
PNG
(US9029559, 247 | US9029559, 444 | US9029559, 578)
Show SMILES COc1ccc(nc1-c1cccnc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN3O4/c1-29-18-9-8-16(24-20(18)13-5-4-10-23-12-13)21(28)25-17(11-19(26)27)14-6-2-3-7-15(14)22/h2-10,12,17H,11H2,1H3,(H,25,28)(H,26,27)/t17-/m0/s1
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n/an/a 8.43E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47325
PNG
(US9029559, 282)
Show SMILES COc1ccc(nc1-c1ccncc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C21H18FN3O4/c1-29-18-7-6-16(24-20(18)13-8-10-23-11-9-13)21(28)25-17(12-19(26)27)14-4-2-3-5-15(14)22/h2-11,17H,12H2,1H3,(H,25,28)(H,26,27)/t17-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47326
PNG
(US9029559, 284)
Show SMILES COc1ccc(nc1)-c1ccc(nc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C21H18FN3O4/c1-29-14-7-9-17(24-12-14)13-6-8-18(23-11-13)21(28)25-19(10-20(26)27)15-4-2-3-5-16(15)22/h2-9,11-12,19H,10H2,1H3,(H,25,28)(H,26,27)/t19-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47327
PNG
(US9029559, 294)
Show SMILES COc1ccc(nc1-c1ccc(F)nc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C21H17F2N3O4/c1-30-17-8-7-15(25-20(17)12-6-9-18(23)24-11-12)21(29)26-16(10-19(27)28)13-4-2-3-5-14(13)22/h2-9,11,16H,10H2,1H3,(H,26,29)(H,27,28)/t16-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47328
PNG
(US9029559, 296)
Show SMILES COc1ccc(nc1-c1cccnc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C22H20FN3O5/c1-30-18-10-9-16(25-20(18)14-7-5-11-24-22(14)31-2)21(29)26-17(12-19(27)28)13-6-3-4-8-15(13)23/h3-11,17H,12H2,1-2H3,(H,26,29)(H,27,28)/t17-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47329
PNG
(US9029559, 314)
Show SMILES COc1ccc(nc1-c1cc(C)cnc1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C22H19ClFN3O4/c1-12-9-14(21(23)25-11-12)20-18(31-2)8-7-16(26-20)22(30)27-17(10-19(28)29)13-5-3-4-6-15(13)24/h3-9,11,17H,10H2,1-2H3,(H,27,30)(H,28,29)/t17-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47330
PNG
(US9029559, 321)
Show SMILES COc1ccc(nc1-c1ccnc(c1)N1CCOCC1)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C25H25FN4O5/c1-34-21-7-6-19(25(33)29-20(15-23(31)32)17-4-2-3-5-18(17)26)28-24(21)16-8-9-27-22(14-16)30-10-12-35-13-11-30/h2-9,14,20H,10-13,15H2,1H3,(H,29,33)(H,31,32)/t20-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47331
PNG
(US9029559, 365)
Show SMILES COc1ccc(nc1-c1ccncc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C22H21N3O4/c1-14-5-3-4-6-16(14)18(13-20(26)27)25-22(28)17-7-8-19(29-2)21(24-17)15-9-11-23-12-10-15/h3-12,18H,13H2,1-2H3,(H,25,28)(H,26,27)/t18-/m0/s1
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n/an/a 5.45E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47332
PNG
(US9029559, 366)
Show SMILES COc1ccc(nc1-c1cc(F)ccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C23H20F2N2O4/c1-13-5-3-4-6-15(13)19(12-21(28)29)27-23(30)18-9-10-20(31-2)22(26-18)16-11-14(24)7-8-17(16)25/h3-11,19H,12H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47333
PNG
(US9029559, 373)
Show SMILES COc1ccc(nc1-c1ccc(F)nc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C22H20FN3O4/c1-13-5-3-4-6-15(13)17(11-20(27)28)26-22(29)16-8-9-18(30-2)21(25-16)14-7-10-19(23)24-12-14/h3-10,12,17H,11H2,1-2H3,(H,26,29)(H,27,28)/t17-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47334
PNG
(US9029559, 381)
Show SMILES COc1ccc(nc1-c1ccnc(c1)N1CCOCC1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C26H28N4O5/c1-17-5-3-4-6-19(17)21(16-24(31)32)29-26(33)20-7-8-22(34-2)25(28-20)18-9-10-27-23(15-18)30-11-13-35-14-12-30/h3-10,15,21H,11-14,16H2,1-2H3,(H,29,33)(H,31,32)/t21-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47335
PNG
(US9029559, 392)
Show SMILES COc1ncc(cc1-c1cccc(Cl)c1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2N2O4/c1-30-22-17(13-5-4-6-15(23)9-13)10-14(12-25-22)21(29)26-19(11-20(27)28)16-7-2-3-8-18(16)24/h2-10,12,19H,11H2,1H3,(H,26,29)(H,27,28)/t19-/m0/s1
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n/an/a 1.03E+4n/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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47336
PNG
(BDBM156955 | US9029559, 420)
Show SMILES COc1ncc(cc1-c1cccc(c1)C#N)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H18ClN3O4/c1-31-23-18(15-6-4-5-14(9-15)12-25)10-16(13-26-23)22(30)27-20(11-21(28)29)17-7-2-3-8-19(17)24/h2-10,13,20H,11H2,1H3,(H,27,30)(H,28,29)/t20-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47337
PNG
(US9029559, 443)
Show SMILES COc1ccc(nc1-c1ccncc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN3O4/c1-29-18-7-6-16(24-20(18)13-8-10-23-11-9-13)21(28)25-17(12-19(26)27)14-4-2-3-5-15(14)22/h2-11,17H,12H2,1H3,(H,25,28)(H,26,27)/t17-/m0/s1
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n/an/a 8.04E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47324
PNG
(US9029559, 247 | US9029559, 444 | US9029559, 578)
Show SMILES COc1ccc(nc1-c1cccnc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN3O4/c1-29-18-9-8-16(24-20(18)13-5-4-10-23-12-13)21(28)25-17(11-19(26)27)14-6-2-3-7-15(14)22/h2-10,12,17H,11H2,1H3,(H,25,28)(H,26,27)/t17-/m0/s1
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n/an/a 1.01E+4n/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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47339
PNG
(US9029559, 453)
Show SMILES COc1ccc(nc1-c1ccc(F)nc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C21H17ClFN3O4/c1-30-17-8-7-15(25-20(17)12-6-9-18(23)24-11-12)21(29)26-16(10-19(27)28)13-4-2-3-5-14(13)22/h2-9,11,16H,10H2,1H3,(H,26,29)(H,27,28)/t16-/m0/s1
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n/an/a 6.49E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47340
PNG
(US9029559, 455)
Show SMILES COc1ccc(nc1-c1cccnc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H20ClN3O5/c1-30-18-10-9-16(25-20(18)14-7-5-11-24-22(14)31-2)21(29)26-17(12-19(27)28)13-6-3-4-8-15(13)23/h3-11,17H,12H2,1-2H3,(H,26,29)(H,27,28)/t17-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47343
PNG
(US9029559, 468)
Show SMILES COc1ccc(nc1-c1cccnc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C23H23N3O5/c1-14-7-4-5-8-15(14)18(13-20(27)28)26-22(29)17-10-11-19(30-2)21(25-17)16-9-6-12-24-23(16)31-3/h4-12,18H,13H2,1-3H3,(H,26,29)(H,27,28)/t18-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47344
PNG
(US9029559, 469)
Show SMILES COc1ccc(nc1-c1cc(C)cnc1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C23H22ClN3O4/c1-13-10-16(22(24)25-12-13)21-19(31-3)9-8-17(26-21)23(30)27-18(11-20(28)29)15-7-5-4-6-14(15)2/h4-10,12,18H,11H2,1-3H3,(H,27,30)(H,28,29)/t18-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47345
PNG
(US9029559, 470)
Show SMILES COc1ccc(nc1-c1cc(C)ncc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C23H22FN3O4/c1-13-6-4-5-7-15(13)19(11-21(28)29)27-23(30)18-8-9-20(31-3)22(26-18)16-10-14(2)25-12-17(16)24/h4-10,12,19H,11H2,1-3H3,(H,27,30)(H,28,29)/t19-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47347
PNG
(US9029559, 481)
Show SMILES COc1ccc(nc1-c1cc(C)cnc1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H19Cl2N3O4/c1-12-9-14(21(24)25-11-12)20-18(31-2)8-7-16(26-20)22(30)27-17(10-19(28)29)13-5-3-4-6-15(13)23/h3-9,11,17H,10H2,1-2H3,(H,27,30)(H,28,29)/t17-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47349
PNG
(US9029559, 482)
Show SMILES COc1ccc(nc1-c1ccncc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C21H17ClFN3O4/c1-30-18-7-6-16(25-20(18)13-8-9-24-11-15(13)23)21(29)26-17(10-19(27)28)12-4-2-3-5-14(12)22/h2-9,11,17H,10H2,1H3,(H,26,29)(H,27,28)/t17-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47350
PNG
(US9029559, 490)
Show SMILES COc1ccc(nc1-c1cc(C)nc(c1)N1CCOCC1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C26H27ClN4O5/c1-16-13-17(14-23(28-16)31-9-11-36-12-10-31)25-22(35-2)8-7-20(29-25)26(34)30-21(15-24(32)33)18-5-3-4-6-19(18)27/h3-8,13-14,21H,9-12,15H2,1-2H3,(H,30,34)(H,32,33)/t21-/m0/s1
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n/an/a 9.08E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47351
PNG
(US9029559, 572)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)C1=CC=NC(C1)N1CCCCC1
Show InChI InChI=1S/C21H27N3O3/c1-15-7-3-4-8-17(15)18(14-20(25)26)23-21(27)16-9-10-22-19(13-16)24-11-5-2-6-12-24/h3-4,7-10,18-19H,2,5-6,11-14H2,1H3,(H,23,27)(H,25,26)/t18-,19?/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM47324
PNG
(US9029559, 247 | US9029559, 444 | US9029559, 578)
Show SMILES COc1ccc(nc1-c1cccnc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN3O4/c1-29-18-9-8-16(24-20(18)13-5-4-10-23-12-13)21(28)25-17(11-19(26)27)14-6-2-3-7-15(14)22/h2-10,12,17H,11H2,1H3,(H,25,28)(H,26,27)/t17-/m0/s1
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n/an/a 7.54E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156661
PNG
(US9029559, 1)
Show SMILES COc1ccc(nc1-c1ccccc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C23H22N2O4/c1-15-8-6-7-11-17(15)19(14-21(26)27)25-23(28)18-12-13-20(29-2)22(24-18)16-9-4-3-5-10-16/h3-13,19H,14H2,1-2H3,(H,25,28)(H,26,27)/t19-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156662
PNG
(US9029559, 2)
Show SMILES COc1ccc(nc1-c1ccccc1)C(=O)N[C@@H](CC(O)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl2N2O4/c1-30-19-10-9-17(25-21(19)13-5-3-2-4-6-13)22(29)26-18(12-20(27)28)15-8-7-14(23)11-16(15)24/h2-11,18H,12H2,1H3,(H,26,29)(H,27,28)/t18-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156663
PNG
(US9029559, 3)
Show SMILES COc1ccc(nc1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C17H17ClN2O4/c1-10-5-3-4-6-11(10)13(9-15(21)22)20-17(23)12-7-8-14(24-2)16(18)19-12/h3-8,13H,9H2,1-2H3,(H,20,23)(H,21,22)/t13-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156664
PNG
(US9029559, 4)
Show SMILES COc1cc(OC)nc(Oc2cccnc2C(=O)N[C@@H](CC(O)=O)c2ccccc2C)n1
Show InChI InChI=1S/C22H22N4O6/c1-13-7-4-5-8-14(13)15(11-19(27)28)24-21(29)20-16(9-6-10-23-20)32-22-25-17(30-2)12-18(26-22)31-3/h4-10,12,15H,11H2,1-3H3,(H,24,29)(H,27,28)/t15-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156665
PNG
(US9029559, 5)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1ccccn1
Show InChI InChI=1S/C16H16N2O3/c1-11-6-2-3-7-12(11)14(10-15(19)20)18-16(21)13-8-4-5-9-17-13/h2-9,14H,10H2,1H3,(H,18,21)(H,19,20)/t14-/m0/s1
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n/an/a 3.98E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156667
PNG
(US9029559, 7)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cncc(Br)c1
Show InChI InChI=1S/C16H15BrN2O3/c1-10-4-2-3-5-13(10)14(7-15(20)21)19-16(22)11-6-12(17)9-18-8-11/h2-6,8-9,14H,7H2,1H3,(H,19,22)(H,20,21)/t14-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156668
PNG
(US9029559, 8)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cccnc1
Show InChI InChI=1S/C16H16N2O3/c1-11-5-2-3-7-13(11)14(9-15(19)20)18-16(21)12-6-4-8-17-10-12/h2-8,10,14H,9H2,1H3,(H,18,21)(H,19,20)/t14-/m0/s1
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n/an/a 1.04E+4n/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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156669
PNG
(US9029559, 9)
Show SMILES COc1cccnc1C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C17H18N2O4/c1-11-6-3-4-7-12(11)13(10-15(20)21)19-17(22)16-14(23-2)8-5-9-18-16/h3-9,13H,10H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1
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n/an/a 7.25E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156670
PNG
(US9029559, 10)
Show SMILES Cc1cccc(n1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C17H18N2O3/c1-11-6-3-4-8-13(11)15(10-16(20)21)19-17(22)14-9-5-7-12(2)18-14/h3-9,15H,10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m0/s1
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n/an/a 1.24E+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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156671
PNG
(US9029559, 11)
Show SMILES Cc1cc(C)c(cn1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C18H20N2O3/c1-11-6-4-5-7-14(11)16(9-17(21)22)20-18(23)15-10-19-13(3)8-12(15)2/h4-8,10,16H,9H2,1-3H3,(H,20,23)(H,21,22)/t16-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156672
PNG
(US9029559, 12)
Show SMILES CNc1cncc(n1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C16H18N4O3/c1-10-5-3-4-6-11(10)12(7-15(21)22)20-16(23)13-8-18-9-14(17-2)19-13/h3-6,8-9,12H,7H2,1-2H3,(H,17,19)(H,20,23)(H,21,22)/t12-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156673
PNG
(US9029559, 13)
Show SMILES CN(C)c1cc(nc(n1)N(C)C)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C19H25N5O3/c1-12-8-6-7-9-13(12)14(11-17(25)26)20-18(27)15-10-16(23(2)3)22-19(21-15)24(4)5/h6-10,14H,11H2,1-5H3,(H,20,27)(H,25,26)/t14-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156674
PNG
(US9029559, 14)
Show SMILES Cc1ccnc(c1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C17H18N2O3/c1-11-7-8-18-15(9-11)17(22)19-14(10-16(20)21)13-6-4-3-5-12(13)2/h3-9,14H,10H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156675
PNG
(US9029559, 15)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O3/c1-15-7-5-6-10-19(15)20(12-21(25)26)24-22(27)18-11-17(13-23-14-18)16-8-3-2-4-9-16/h2-11,13-14,20H,12H2,1H3,(H,24,27)(H,25,26)/t20-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156676
PNG
(US9029559, 16)
Show SMILES COc1cc(nc(OC)n1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C17H19N3O5/c1-10-6-4-5-7-11(10)12(9-15(21)22)18-16(23)13-8-14(24-2)20-17(19-13)25-3/h4-8,12H,9H2,1-3H3,(H,18,23)(H,21,22)/t12-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156677
PNG
(US9029559, 17)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1ccc2cnccc2n1
Show InChI InChI=1S/C19H17N3O3/c1-12-4-2-3-5-14(12)17(10-18(23)24)22-19(25)16-7-6-13-11-20-9-8-15(13)21-16/h2-9,11,17H,10H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156678
PNG
(US9029559, 18)
Show SMILES CCc1ccnc(c1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C18H20N2O3/c1-3-13-8-9-19-16(10-13)18(23)20-15(11-17(21)22)14-7-5-4-6-12(14)2/h4-10,15H,3,11H2,1-2H3,(H,20,23)(H,21,22)/t15-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156679
PNG
(US9029559, 19)
Show SMILES CC(=O)Nc1cc(ccn1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C18H19N3O4/c1-11-5-3-4-6-14(11)15(10-17(23)24)21-18(25)13-7-8-19-16(9-13)20-12(2)22/h3-9,15H,10H2,1-2H3,(H,21,25)(H,23,24)(H,19,20,22)/t15-/m0/s1
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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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
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