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Compile Data Set for Download or QSAR

Found 544 hits of affinity data for UniProtKB/TrEMBL: Q561W6   
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))
BDBM50396564
PNG
(CHEMBL2171390)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC(=O)C(C)(C)C)n(n1)-c1ccccc1F
Show InChI InChI=1S/C26H28FN3O5/c1-16-9-5-6-10-17(16)19(14-24(32)33)28-25(34)20-13-23(35-15-22(31)26(2,3)4)30(29-20)21-12-8-7-11-18(21)27/h5-13,19H,14-15H2,1-4H3,(H,28,34)(H,32,33)/t19-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396562
PNG
(CHEMBL2171392)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OC[C@H](O)C(C)(C)C)n(n1)-c1ccccc1F
Show InChI InChI=1S/C26H30FN3O5/c1-16-9-5-6-10-17(16)19(14-24(32)33)28-25(34)20-13-23(35-15-22(31)26(2,3)4)30(29-20)21-12-8-7-11-18(21)27/h5-13,19,22,31H,14-15H2,1-4H3,(H,28,34)(H,32,33)/t19-,22-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396560
PNG
(CHEMBL2171394)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OC[C@@H](O)C(C)(C)C)n(n1)-c1ccccc1F
Show InChI InChI=1S/C26H30FN3O5/c1-16-9-5-6-10-17(16)19(14-24(32)33)28-25(34)20-13-23(35-15-22(31)26(2,3)4)30(29-20)21-12-8-7-11-18(21)27/h5-13,19,22,31H,14-15H2,1-4H3,(H,28,34)(H,32,33)/t19-,22+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396557
PNG
(CHEMBL2171397)
Show SMILES CCOc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C22H22FN3O4/c1-3-30-20-12-18(25-26(20)19-11-7-6-10-16(19)23)22(29)24-17(13-21(27)28)15-9-5-4-8-14(15)2/h4-12,17H,3,13H2,1-2H3,(H,24,29)(H,27,28)/t17-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396556
PNG
(CHEMBL2171398)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC2CC2)n(n1)-c1ccccc1F
Show InChI InChI=1S/C24H24FN3O4/c1-15-6-2-3-7-17(15)19(13-23(29)30)26-24(31)20-12-22(32-14-16-10-11-16)28(27-20)21-9-5-4-8-18(21)25/h2-9,12,16,19H,10-11,13-14H2,1H3,(H,26,31)(H,29,30)/t19-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396583
PNG
(CHEMBL2171404)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19F2N3O4/c26-18-11-9-16(10-12-18)15-5-7-17(8-6-15)20(14-24(32)33)28-25(34)21-13-23(31)30(29-21)22-4-2-1-3-19(22)27/h1-13,20,29H,14H2,(H,28,34)(H,32,33)
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n/an/a 25n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396555
PNG
(CHEMBL2171396)
Show SMILES COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C21H20FN3O4/c1-13-7-3-4-8-14(13)16(12-20(26)27)23-21(28)17-11-19(29-2)25(24-17)18-10-6-5-9-15(18)22/h3-11,16H,12H2,1-2H3,(H,23,28)(H,26,27)/t16-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156741
PNG
(US9029559, 161)
Show SMILES Cc1cccc(c1C)-c1cccc(n1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H24N2O3/c1-15-9-6-11-19(17(15)3)20-12-7-13-21(25-20)24(29)26-22(14-23(27)28)18-10-5-4-8-16(18)2/h4-13,22H,14H2,1-3H3,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a 29.4n/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 US9029559 (2015)


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


(Homo sapiens (Human))
BDBM50396587
PNG
(CHEMBL2171399)
Show SMILES COc1c(F)c(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C21H19F2N3O4/c1-12-7-3-4-8-13(12)15(11-17(27)28)24-20(29)19-18(23)21(30-2)26(25-19)16-10-6-5-9-14(16)22/h3-10,15H,11H2,1-2H3,(H,24,29)(H,27,28)/t15-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156793
PNG
(US9029559, 222)
Show SMILES COc1ccc(nc1-c1cccc(C)c1C)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H26N2O4/c1-15-8-10-18(11-9-15)21(14-23(28)29)27-25(30)20-12-13-22(31-4)24(26-20)19-7-5-6-16(2)17(19)3/h5-13,21H,14H2,1-4H3,(H,27,30)(H,28,29)/t21-/m0/s1
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n/an/a 37n/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))
BDBM50396558
PNG
(CHEMBL2171403)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F
Show InChI InChI=1S/C20H18FN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156839
PNG
(US9029559, 271)
Show SMILES COc1ccc(nc1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C22H18F2N2O4/c1-30-19-11-10-17(25-21(19)14-7-3-5-9-16(14)24)22(29)26-18(12-20(27)28)13-6-2-4-8-15(13)23/h2-11,18H,12H2,1H3,(H,26,29)(H,27,28)/t18-/m0/s1
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n/an/a 41.8n/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))
BDBM157019
PNG
(US9029559, 466)
Show SMILES COc1ccc(nc1-c1ccc(F)cc1F)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)16-8-7-14(24)11-17(16)25/h3-11,19H,12H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1
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n/an/a 46.3n/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))
BDBM156883
PNG
(US9029559, 320)
Show SMILES COc1ccc(nc1-c1cccc(Cl)c1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C22H17ClF2N2O4/c1-31-18-10-9-16(26-21(18)13-6-4-7-14(23)20(13)25)22(30)27-17(11-19(28)29)12-5-2-3-8-15(12)24/h2-10,17H,11H2,1H3,(H,27,30)(H,28,29)/t17-/m0/s1
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n/an/a 48.4n/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 US9029559 (2015)


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


(Homo sapiens (Human))
BDBM156995
PNG
(US9029559, 438)
Show SMILES COc1ccc(nc1-c1ccc(F)cc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H17ClF2N2O4/c1-31-19-9-8-17(26-21(19)14-7-6-12(24)10-16(14)25)22(30)27-18(11-20(28)29)13-4-2-3-5-15(13)23/h2-10,18H,11H2,1H3,(H,27,30)(H,28,29)/t18-/m0/s1
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n/an/a 49.1n/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))
BDBM50396561
PNG
(CHEMBL2171393)
Show SMILES CC(C)(C)[C@@H](O)COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2FN3O5/c1-25(2,3)21(32)13-36-22-11-19(30-31(22)20-7-5-4-6-17(20)28)24(35)29-18(12-23(33)34)15-9-8-14(26)10-16(15)27/h4-11,18,21,32H,12-13H2,1-3H3,(H,29,35)(H,33,34)/t18-,21-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156726
PNG
(US9029559, 142)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1Cl
Show InChI InChI=1S/C22H19ClN2O3/c1-14-7-2-3-8-15(14)20(13-21(26)27)25-22(28)19-12-6-11-18(24-19)16-9-4-5-10-17(16)23/h2-12,20H,13H2,1H3,(H,25,28)(H,26,27)/t20-/m0/s1
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n/an/a 50n/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))
BDBM157040
PNG
(US9029559, 493)
Show SMILES COc1ccc(nc1-c1cccc(F)c1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2FN2O4/c1-31-18-10-9-16(26-21(18)13-6-4-8-15(25)20(13)24)22(30)27-17(11-19(28)29)12-5-2-3-7-14(12)23/h2-10,17H,11H2,1H3,(H,27,30)(H,28,29)/t17-/m0/s1
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n/an/a 50.6n/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))
BDBM47277
PNG
(BDB47277 | US9029559, 289)
Show SMILES COc1ccc(nc1-c1cccc(C)c1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C24H23FN2O4/c1-14-7-6-9-16(15(14)2)23-21(31-3)12-11-19(26-23)24(30)27-20(13-22(28)29)17-8-4-5-10-18(17)25/h4-12,20H,13H2,1-3H3,(H,27,30)(H,28,29)/t20-/m0/s1
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n/an/a 52.8n/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))
BDBM50396582
PNG
(CHEMBL2171405)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1Cl
Show InChI InChI=1S/C20H18ClN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM157001
PNG
(US9029559, 446)
Show SMILES COc1ccc(nc1-c1cc(F)ccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H17ClF2N2O4/c1-31-19-9-8-17(26-21(19)14-10-12(24)6-7-16(14)25)22(30)27-18(11-20(28)29)13-4-2-3-5-15(13)23/h2-10,18H,11H2,1H3,(H,27,30)(H,28,29)/t18-/m0/s1
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n/an/a 57.1n/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))
BDBM50396581
PNG
(CHEMBL2171406)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1cccc(F)c1
Show InChI InChI=1S/C20H18FN3O4/c1-12-5-2-3-8-15(12)16(11-19(26)27)22-20(28)17-10-18(25)24(23-17)14-7-4-6-13(21)9-14/h2-10,16,23H,11H2,1H3,(H,22,28)(H,26,27)/t16-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396563
PNG
(CHEMBL2171391)
Show SMILES CC(C)(C)C(=O)COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H24Cl2FN3O5/c1-25(2,3)21(32)13-36-22-11-19(30-31(22)20-7-5-4-6-17(20)28)24(35)29-18(12-23(33)34)15-9-8-14(26)10-16(15)27/h4-11,18H,12-13H2,1-3H3,(H,29,35)(H,33,34)/t18-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM157118
PNG
(US9029559, 602)
Show SMILES OC(=O)C[C@H](NC(=O)c1cccc(n1)-c1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16Cl2N2O3/c22-14-10-8-13(9-11-14)19(12-20(26)27)25-21(28)18-7-3-6-17(24-18)15-4-1-2-5-16(15)23/h1-11,19H,12H2,(H,25,28)(H,26,27)/t19-/m0/s1
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n/an/a 62.3n/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))
BDBM157044
PNG
(US9029559, 497)
Show SMILES COc1ccc(nc1-c1cccc(C)c1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O4/c1-13-6-5-8-15(21(13)25)22-19(31-2)11-10-17(26-22)23(30)27-18(12-20(28)29)14-7-3-4-9-16(14)24/h3-11,18H,12H2,1-2H3,(H,27,30)(H,28,29)/t18-/m0/s1
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n/an/a 67.8n/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))
BDBM156752
PNG
(US9029559, 178)
Show SMILES COc1ccc(nc1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C23H21FN2O4/c1-14-7-3-4-8-15(14)19(13-21(27)28)26-23(29)18-11-12-20(30-2)22(25-18)16-9-5-6-10-17(16)24/h3-12,19H,13H2,1-2H3,(H,26,29)(H,27,28)/t19-/m0/s1
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n/an/a 68.3n/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))
BDBM156782
PNG
(US9029559, 209)
Show SMILES COc1ccc(nc1-c1cccc(Cl)c1Cl)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H20Cl2N2O4/c1-13-6-8-14(9-7-13)18(12-20(28)29)27-23(30)17-10-11-19(31-2)22(26-17)15-4-3-5-16(24)21(15)25/h3-11,18H,12H2,1-2H3,(H,27,30)(H,28,29)/t18-/m0/s1
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n/an/a 69.6n/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))
BDBM50396559
PNG
(CHEMBL2171395)
Show SMILES CC(C)(C)[C@H](O)COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2FN3O5/c1-25(2,3)21(32)13-36-22-11-19(30-31(22)20-7-5-4-6-17(20)28)24(35)29-18(12-23(33)34)15-9-8-14(26)10-16(15)27/h4-11,18,21,32H,12-13H2,1-3H3,(H,29,35)(H,33,34)/t18-,21+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396566
PNG
(CHEMBL2171388)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O4/c1-13-7-5-6-10-15(13)16(12-19(25)26)21-20(27)17-11-18(24)23(22-17)14-8-3-2-4-9-14/h2-11,16,22H,12H2,1H3,(H,21,27)(H,25,26)/t16-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156727
PNG
(US9029559, 143)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1F
Show InChI InChI=1S/C22H19FN2O3/c1-14-7-2-3-8-15(14)20(13-21(26)27)25-22(28)19-12-6-11-18(24-19)16-9-4-5-10-17(16)23/h2-12,20H,13H2,1H3,(H,25,28)(H,26,27)/t20-/m0/s1
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n/an/a 73.3n/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))
BDBM156865
PNG
(US9029559, 301)
Show SMILES COc1ccc(F)cc1-c1nc(ccc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H20F2N2O5/c1-31-19-9-7-13(24)11-15(19)22-20(32-2)10-8-17(26-22)23(30)27-18(12-21(28)29)14-5-3-4-6-16(14)25/h3-11,18H,12H2,1-2H3,(H,27,30)(H,28,29)/t18-/m0/s1
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n/an/a 73.7n/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))
BDBM156892
PNG
(US9029559, 330)
Show SMILES COc1ccc(nc1-c1ccccc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H19ClN2O4/c1-29-19-12-11-17(24-21(19)14-7-3-2-4-8-14)22(28)25-18(13-20(26)27)15-9-5-6-10-16(15)23/h2-12,18H,13H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1
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n/an/a 75.1n/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))
BDBM50396580
PNG
(CHEMBL2169902)
Show SMILES Cc1ccc(F)cc1C(CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F
Show InChI InChI=1S/C20H17F2N3O4/c1-11-6-7-12(21)8-13(11)15(10-19(27)28)23-20(29)16-9-18(26)25(24-16)17-5-3-2-4-14(17)22/h2-9,15,24H,10H2,1H3,(H,23,29)(H,27,28)
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n/an/a 76n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM157119
PNG
(US9029559, 603)
Show SMILES OC(=O)C[C@H](NC(=O)c1cccc(n1)-c1ccccc1Cl)c1cccc(Cl)c1
Show InChI InChI=1S/C21H16Cl2N2O3/c22-14-6-3-5-13(11-14)19(12-20(26)27)25-21(28)18-10-4-9-17(24-18)15-7-1-2-8-16(15)23/h1-11,19H,12H2,(H,25,28)(H,26,27)/t19-/m0/s1
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n/an/a 80.3n/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))
BDBM156884
PNG
(US9029559, 322)
Show SMILES COc1ccc(nc1-c1ccoc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C21H19FN2O5/c1-12-13(9-10-29-12)20-18(28-2)8-7-16(23-20)21(27)24-17(11-19(25)26)14-5-3-4-6-15(14)22/h3-10,17H,11H2,1-2H3,(H,24,27)(H,25,26)/t17-/m0/s1
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n/an/a 81.3n/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))
BDBM156763
PNG
(US9029559, 190)
Show SMILES COc1ccc(nc1-c1ccccc1C)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O4/c1-15-8-10-17(11-9-15)20(14-22(27)28)26-24(29)19-12-13-21(30-3)23(25-19)18-7-5-4-6-16(18)2/h4-13,20H,14H2,1-3H3,(H,26,29)(H,27,28)/t20-/m0/s1
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n/an/a 81.3n/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))
BDBM156830
PNG
(US9029559, 262)
Show SMILES COc1ccc(nc1-c1ccccc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H21FN2O4/c1-14-7-3-4-8-15(14)22-20(30-2)12-11-18(25-22)23(29)26-19(13-21(27)28)16-9-5-6-10-17(16)24/h3-12,19H,13H2,1-2H3,(H,26,29)(H,27,28)/t19-/m0/s1
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n/an/a 81.9n/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))
BDBM156917
PNG
(US9029559, 355)
Show SMILES COc1ccccc1-c1nc(ccc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H24N2O5/c1-15-8-4-5-9-16(15)19(14-22(27)28)26-24(29)18-12-13-21(31-3)23(25-18)17-10-6-7-11-20(17)30-2/h4-13,19H,14H2,1-3H3,(H,26,29)(H,27,28)/t19-/m0/s1
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n/an/a 83.3n/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))
BDBM50396578
PNG
(CHEMBL2171604)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O4/c1-12-4-2-3-5-15(12)16(11-19(26)27)22-20(28)17-10-18(25)24(23-17)14-8-6-13(21)7-9-14/h2-10,16,23H,11H2,1H3,(H,22,28)(H,26,27)/t16-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM157062
PNG
(US9029559, 515)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C15H16ClN5O3/c1-7-4-2-3-5-8(7)9(6-10(22)23)19-15(24)11-13(17)21-14(18)12(16)20-11/h2-5,9H,6H2,1H3,(H,19,24)(H,22,23)(H4,17,18,21)/t9-/m0/s1
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n/an/a 87.1n/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))
BDBM156813
PNG
(US9029559, 244)
Show SMILES COc1ccc(nc1-c1cccc(F)c1C)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H23FN2O4/c1-14-7-9-16(10-8-14)20(13-22(28)29)27-24(30)19-11-12-21(31-3)23(26-19)17-5-4-6-18(25)15(17)2/h4-12,20H,13H2,1-3H3,(H,27,30)(H,28,29)/t20-/m0/s1
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n/an/a 90.1n/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))
BDBM156788
PNG
(US9029559, 217)
Show SMILES COc1ccc(nc1-c1cccc(F)c1F)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H20F2N2O4/c1-13-6-8-14(9-7-13)18(12-20(28)29)27-23(30)17-10-11-19(31-2)22(26-17)15-4-3-5-16(24)21(15)25/h3-11,18H,12H2,1-2H3,(H,27,30)(H,28,29)/t18-/m0/s1
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n/an/a 90.2n/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))
BDBM156743
PNG
(US9029559, 165)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cccc(n1)-c1cc(F)ccc1C
Show InChI InChI=1S/C23H21FN2O3/c1-14-6-3-4-7-17(14)21(13-22(27)28)26-23(29)20-9-5-8-19(25-20)18-12-16(24)11-10-15(18)2/h3-12,21H,13H2,1-2H3,(H,26,29)(H,27,28)/t21-/m0/s1
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n/an/a 94.4n/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))
BDBM157022
PNG
(US9029559, 472)
Show SMILES COc1ccc(nc1-c1ccoc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C22H22N2O5/c1-13-6-4-5-7-15(13)18(12-20(25)26)24-22(27)17-8-9-19(28-3)21(23-17)16-10-11-29-14(16)2/h4-11,18H,12H2,1-3H3,(H,24,27)(H,25,26)/t18-/m0/s1
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n/an/a 96n/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))
BDBM157017
PNG
(US9029559, 464)
Show SMILES COc1ccc(nc1-c1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H21F3N2O4/c1-14-7-3-4-8-15(14)19(13-21(30)31)29-23(32)18-11-12-20(33-2)22(28-18)16-9-5-6-10-17(16)24(25,26)27/h3-12,19H,13H2,1-2H3,(H,29,32)(H,30,31)/t19-/m0/s1
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n/an/a 99.3n/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))
BDBM156789
PNG
(US9029559, 218)
Show SMILES COc1ccc(nc1-c1cc(F)ccc1F)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H20F2N2O4/c1-13-3-5-14(6-4-13)19(12-21(28)29)27-23(30)18-9-10-20(31-2)22(26-18)16-11-15(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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n/an/a 99.8n/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))
BDBM50396579
PNG
(CHEMBL2171407)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H15Cl2N3O4/c20-13-8-4-7-12(18(13)21)14(10-17(26)27)22-19(28)15-9-16(25)24(23-15)11-5-2-1-3-6-11/h1-9,14,23H,10H2,(H,22,28)(H,26,27)
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n/an/a 100n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396584
PNG
(CHEMBL2171402)
Show SMILES COc1cn(nc1C(=O)N[C@@H](CC(O)=O)c1ccccc1C)-c1ccccc1
Show InChI InChI=1S/C21H21N3O4/c1-14-8-6-7-11-16(14)17(12-19(25)26)22-21(27)20-18(28-2)13-24(23-20)15-9-4-3-5-10-15/h3-11,13,17H,12H2,1-2H3,(H,22,27)(H,25,26)/t17-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396576
PNG
(CHEMBL2171605)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H18ClN3O4/c1-12-5-2-3-8-15(12)16(11-19(26)27)22-20(28)17-10-18(25)24(23-17)14-7-4-6-13(21)9-14/h2-10,16,23H,11H2,1H3,(H,22,28)(H,26,27)/t16-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156836
PNG
(US9029559, 268)
Show SMILES COc1ccccc1-c1nc(ccc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H21FN2O5/c1-30-19-10-6-4-8-15(19)22-20(31-2)12-11-17(25-22)23(29)26-18(13-21(27)28)14-7-3-5-9-16(14)24/h3-12,18H,13H2,1-2H3,(H,26,29)(H,27,28)/t18-/m0/s1
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n/an/a 102n/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
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