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Compile Data Set for Download or QSAR

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


(Homo sapiens (Human))
BDBM183942
PNG
(US9150526, 205)
Show SMILES COc1cccc(OC)c1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C21H19F3N2O5/c1-11-25-26-20(31-11)15(10-18(27)28)12-7-13(9-14(8-12)21(22,23)24)19-16(29-2)5-4-6-17(19)30-3/h4-9,15H,10H2,1-3H3,(H,27,28)
PDB
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US Patent
n/an/a 2n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
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
PDB

KEGG

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Article
PubMed
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...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183959
PNG
(US9150526, 222)
Show SMILES COc1ccc(cc1-c1cc(F)cc(c1)C(CC(O)=O)c1nnc(C)o1)C(C)(C)C#N
Show InChI InChI=1/C23H22FN3O4/c1-13-26-27-22(31-13)19(11-21(28)29)15-7-14(8-17(24)9-15)18-10-16(23(2,3)12-25)5-6-20(18)30-4/h5-10,19H,11H2,1-4H3,(H,28,29)
PDB
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US Patent
n/an/a 4n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183901
PNG
(US9150526, 154)
Show SMILES COc1cccc(OC)c1-c1cc(Cl)cc(c1)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C20H19ClN2O5/c1-11-22-23-20(28-11)15(10-18(24)25)12-7-13(9-14(21)8-12)19-16(26-2)5-4-6-17(19)27-3/h4-9,15H,10H2,1-3H3,(H,24,25)
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US Patent
n/an/a 5n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

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
PDB

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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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183758
PNG
(US9150526, 7)
Show SMILES COc1cccc(OC)c1-c1cc(F)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C21H20FNO4S/c1-12-11-23-21(28-12)16(10-19(24)25)13-7-14(9-15(22)8-13)20-17(26-2)5-4-6-18(20)27-3/h4-9,11,16H,10H2,1-3H3,(H,24,25)
PDB
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US Patent
n/an/a 5n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183943
PNG
(US9150526, 206)
Show SMILES COc1cc(C)cc(OC)c1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C22H21F3N2O5/c1-11-5-17(30-3)20(18(6-11)31-4)14-7-13(8-15(9-14)22(23,24)25)16(10-19(28)29)21-27-26-12(2)32-21/h5-9,16H,10H2,1-4H3,(H,28,29)
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US Patent
n/an/a 6n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183761
PNG
(US9150526, 10)
Show SMILES COc1cccc(OC)c1-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C21H20ClNO4S/c1-12-11-23-21(28-12)16(10-19(24)25)13-7-14(9-15(22)8-13)20-17(26-2)5-4-6-18(20)27-3/h4-9,11,16H,10H2,1-3H3,(H,24,25)
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US Patent
n/an/a 7n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183902
PNG
(US9150526, 155)
Show SMILES COc1cc(C)cc(OC)c1-c1cc(Cl)cc(c1)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C21H21ClN2O5/c1-11-5-17(27-3)20(18(6-11)28-4)14-7-13(8-15(22)9-14)16(10-19(25)26)21-24-23-12(2)29-21/h5-9,16H,10H2,1-4H3,(H,25,26)
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US Patent
n/an/a 8n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183949
PNG
(US9150526, 212)
Show SMILES COc1cccc(F)c1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C20H16F4N2O4/c1-10-25-26-19(30-10)14(9-17(27)28)11-6-12(8-13(7-11)20(22,23)24)18-15(21)4-3-5-16(18)29-2/h3-8,14H,9H2,1-2H3,(H,27,28)
PDB
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US Patent
n/an/a 8n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
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
PDB

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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...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183918
PNG
(US9150526, 176)
Show SMILES COc1ccccc1-c1cc(Cl)cc(c1)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C19H17ClN2O4/c1-11-21-22-19(26-11)16(10-18(23)24)13-7-12(8-14(20)9-13)15-5-3-4-6-17(15)25-2/h3-9,16H,10H2,1-2H3,(H,23,24)
PDB
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US Patent
n/an/a 10n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183944
PNG
(US9150526, 207)
Show SMILES COc1ccc2CC(C)(C)Oc2c1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C24H23F3N2O5/c1-12-28-29-22(33-12)17(10-19(30)31)14-7-15(9-16(8-14)24(25,26)27)20-18(32-4)6-5-13-11-23(2,3)34-21(13)20/h5-9,17H,10-11H2,1-4H3,(H,30,31)
PDB
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US Patent
n/an/a 10n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183801
PNG
(US9150526, 51)
Show SMILES COc1cccc(OC)c1-c1cccc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C21H21NO4S/c1-13-12-22-21(27-13)16(11-19(23)24)14-6-4-7-15(10-14)20-17(25-2)8-5-9-18(20)26-3/h4-10,12,16H,11H2,1-3H3,(H,23,24)
PDB
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US Patent
n/an/a 11n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183955
PNG
(US9150526, 218)
Show SMILES COc1ccc(F)cc1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C20H16F4N2O4/c1-10-25-26-19(30-10)16(9-18(27)28)12-5-11(6-13(7-12)20(22,23)24)15-8-14(21)3-4-17(15)29-2/h3-8,16H,9H2,1-2H3,(H,27,28)
PDB
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US Patent
n/an/a 12n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183954
PNG
(US9150526, 217)
Show SMILES COc1ccccc1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C20H17F3N2O4/c1-11-24-25-19(29-11)16(10-18(26)27)13-7-12(8-14(9-13)20(21,22)23)15-5-3-4-6-17(15)28-2/h3-9,16H,10H2,1-2H3,(H,26,27)
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US Patent
n/an/a 13n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183843
PNG
(US9150526, 96)
Show SMILES COc1cc(CO)cc(OC)c1-c1cc(F)cc(c1)C(CC(O)=O)c1ncco1
Show InChI InChI=1/C21H20FNO6/c1-27-17-5-12(11-24)6-18(28-2)20(17)14-7-13(8-15(22)9-14)16(10-19(25)26)21-23-3-4-29-21/h3-9,16,24H,10-11H2,1-2H3,(H,25,26)
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US Patent
n/an/a 14n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183947
PNG
(US9150526, 210)
Show SMILES CCOc1ccccc1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C21H19F3N2O4/c1-3-29-18-7-5-4-6-16(18)13-8-14(10-15(9-13)21(22,23)24)17(11-19(27)28)20-26-25-12(2)30-20/h4-10,17H,3,11H2,1-2H3,(H,27,28)
PDB
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US Patent
n/an/a 14n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183938
PNG
(US9150526, 201)
Show SMILES COc1ccc(OC)c(c1)-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C21H19F3N2O5/c1-11-25-26-20(31-11)17(10-19(27)28)13-6-12(7-14(8-13)21(22,23)24)16-9-15(29-2)4-5-18(16)30-3/h4-9,17H,10H2,1-3H3,(H,27,28)
PDB
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US Patent
n/an/a 14n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

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
PDB

KEGG

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Article
PubMed
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...


Citation and Details
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
PDB

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PC sid
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AffyNet 
Article
PubMed
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...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183818
PNG
(US9150526, 71)
Show SMILES COc1cccc(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)15(9-18(24)25)12-6-13(8-14(21)7-12)19-16(22)4-3-5-17(19)26-2/h3-8,10,15H,9H2,1-2H3,(H,24,25)
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n/an/a 16n/an/an/an/an/an/a



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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183844
PNG
(US9150526, 97)
Show SMILES COc1cc(C)cc(OC)c1-c1cc(F)cc(c1)C(CC(O)=O)c1ncco1
Show InChI InChI=1/C21H20FNO5/c1-12-6-17(26-2)20(18(7-12)27-3)14-8-13(9-15(22)10-14)16(11-19(24)25)21-23-4-5-28-21/h4-10,16H,11H2,1-3H3,(H,24,25)
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n/an/a 16n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183946
PNG
(US9150526, 209)
Show SMILES COc1ccc(Cl)cc1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C20H16ClF3N2O4/c1-10-25-26-19(30-10)16(9-18(27)28)12-5-11(6-13(7-12)20(22,23)24)15-8-14(21)3-4-17(15)29-2/h3-8,16H,9H2,1-2H3,(H,27,28)
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n/an/a 17n/an/an/an/an/an/a



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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183882
PNG
(US9150526, 135)
Show SMILES COc1cccc(OC)c1-c1cccc(c1)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C20H20N2O5/c1-12-21-22-20(27-12)15(11-18(23)24)13-6-4-7-14(10-13)19-16(25-2)8-5-9-17(19)26-3/h4-10,15H,11H2,1-3H3,(H,23,24)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183904
PNG
(US9150526, 157)
Show SMILES COc1ccc2CC(C)(C)Oc2c1-c1cc(Cl)cc(c1)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C23H23ClN2O5/c1-12-25-26-22(30-12)17(10-19(27)28)14-7-15(9-16(24)8-14)20-18(29-4)6-5-13-11-23(2,3)31-21(13)20/h5-9,17H,10-11H2,1-4H3,(H,27,28)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183951
PNG
(US9150526, 214)
Show SMILES COc1cccc(Cl)c1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C20H16ClF3N2O4/c1-10-25-26-19(30-10)14(9-17(27)28)11-6-12(8-13(7-11)20(22,23)24)18-15(21)4-3-5-16(18)29-2/h3-8,14H,9H2,1-2H3,(H,27,28)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183940
PNG
(US9150526, 203)
Show SMILES COc1ccc(cc1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1)C(C)(C)C
Show InChI InChI=1/C24H25F3N2O4/c1-13-28-29-22(33-13)19(12-21(30)31)15-8-14(9-17(10-15)24(25,26)27)18-11-16(23(2,3)4)6-7-20(18)32-5/h6-11,19H,12H2,1-5H3,(H,30,31)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183939
PNG
(US9150526, 202)
Show SMILES COc1ccc(C)cc1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C21H19F3N2O4/c1-11-4-5-18(29-3)16(6-11)13-7-14(9-15(8-13)21(22,23)24)17(10-19(27)28)20-26-25-12(2)30-20/h4-9,17H,10H2,1-3H3,(H,27,28)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183912
PNG
(US9150526, 169)
Show SMILES COc1ccc(C)cc1-c1cc(Cl)cc(c1)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C20H19ClN2O4/c1-11-4-5-18(26-3)16(6-11)13-7-14(9-15(21)8-13)17(10-19(24)25)20-23-22-12(2)27-20/h4-9,17H,10H2,1-3H3,(H,24,25)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183845
PNG
(US9150526, 98)
Show SMILES COc1cccc(OC)c1-c1cc(F)cc(c1)C(CC(O)=O)c1ncco1
Show InChI InChI=1/C20H18FNO5/c1-25-16-4-3-5-17(26-2)19(16)13-8-12(9-14(21)10-13)15(11-18(23)24)20-22-6-7-27-20/h3-10,15H,11H2,1-2H3,(H,23,24)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183820
PNG
(US9150526, 73)
Show SMILES COc1ccc(O)cc1-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C20H18ClNO4S/c1-11-10-22-20(27-11)17(9-19(24)25)13-5-12(6-14(21)7-13)16-8-15(23)3-4-18(16)26-2/h3-8,10,17,23H,9H2,1-2H3,(H,24,25)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183819
PNG
(US9150526, 72)
Show SMILES COc1ccc(OC)c(-c2cc(Cl)cc(c2)C(CC(O)=O)c2ncc(C)s2)c1OC
Show InChI InChI=1/C22H22ClNO5S/c1-12-11-24-22(30-12)16(10-19(25)26)13-7-14(9-15(23)8-13)20-17(27-2)5-6-18(28-3)21(20)29-4/h5-9,11,16H,10H2,1-4H3,(H,25,26)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183821
PNG
(US9150526, 74)
Show SMILES COc1cc(C)cc(OC)c1-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C22H22ClNO4S/c1-12-5-18(27-3)21(19(6-12)28-4)15-7-14(8-16(23)9-15)17(10-20(25)26)22-24-11-13(2)29-22/h5-9,11,17H,10H2,1-4H3,(H,25,26)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183822
PNG
(US9150526, 75)
Show SMILES COc1ccccc1-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C20H18ClNO3S/c1-12-11-22-20(26-12)17(10-19(23)24)14-7-13(8-15(21)9-14)16-5-3-4-6-18(16)25-2/h3-9,11,17H,10H2,1-2H3,(H,23,24)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183958
PNG
(US9150526, 221)
Show SMILES COc1ccc(CO)cc1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C21H19F3N2O5/c1-11-25-26-20(31-11)17(9-19(28)29)14-6-13(7-15(8-14)21(22,23)24)16-5-12(10-27)3-4-18(16)30-2/h3-8,17,27H,9-10H2,1-2H3,(H,28,29)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183948
PNG
(US9150526, 211)
Show SMILES COc1ccc(c(OC)c1)-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C21H19F3N2O5/c1-11-25-26-20(31-11)17(10-19(27)28)13-6-12(7-14(8-13)21(22,23)24)16-5-4-15(29-2)9-18(16)30-3/h4-9,17H,10H2,1-3H3,(H,27,28)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183884
PNG
(US9150526, 137)
Show SMILES COc1cc(C)cc(OC)c1-c1cccc(c1)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C21H22N2O5/c1-12-8-17(26-3)20(18(9-12)27-4)15-7-5-6-14(10-15)16(11-19(24)25)21-23-22-13(2)28-21/h5-10,16H,11H2,1-4H3,(H,24,25)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183883
PNG
(US9150526, 136)
Show SMILES COc1ccc(C)cc1-c1cccc(c1)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C20H20N2O4/c1-12-7-8-18(25-3)16(9-12)14-5-4-6-15(10-14)17(11-19(23)24)20-22-21-13(2)26-20/h4-10,17H,11H2,1-3H3,(H,23,24)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183919
PNG
(US9150526, 177)
Show SMILES CCOc1ccccc1-c1cc(Cl)cc(c1)C(CC(O)=O)c1nnc(C)o1
Show InChI InChI=1/C20H19ClN2O4/c1-3-26-18-7-5-4-6-16(18)13-8-14(10-15(21)9-13)17(11-19(24)25)20-23-22-12(2)27-20/h4-10,17H,3,11H2,1-2H3,(H,24,25)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

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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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...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183900
PNG
(US9150526, 153)
Show SMILES COc1ccc(cc1-c1cc(Cl)cc(c1)C(CC(O)=O)c1nnc(C)o1)C(C)C
Show InChI InChI=1/C22H23ClN2O4/c1-12(2)14-5-6-20(28-4)18(10-14)15-7-16(9-17(23)8-15)19(11-21(26)27)22-25-24-13(3)29-22/h5-10,12,19H,11H2,1-4H3,(H,26,27)
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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

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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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...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183927
PNG
(US9150526, 185)
Show SMILES COc1ccc(cc1-c1cccc(c1)[C@@H](CC(O)=O)c1nnc(C)o1)C(C)C
Show InChI InChI=1S/C22H24N2O4/c1-13(2)15-8-9-20(27-4)18(11-15)16-6-5-7-17(10-16)19(12-21(25)26)22-24-23-14(3)28-22/h5-11,13,19H,12H2,1-4H3,(H,25,26)/t19-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183846
PNG
(US9150526, 99)
Show SMILES COc1cc(C)cc(OC)c1-c1cc(F)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C22H22FNO4S/c1-12-5-18(27-3)21(19(6-12)28-4)15-7-14(8-16(23)9-15)17(10-20(25)26)22-24-11-13(2)29-22/h5-9,11,17H,10H2,1-4H3,(H,25,26)
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n/an/a 28n/an/an/an/an/an/a



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US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183823
PNG
(US9150526, 76)
Show SMILES COc1ccc(OC)c(c1)-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C21H20ClNO4S/c1-12-11-23-21(28-12)18(10-20(24)25)14-6-13(7-15(22)8-14)17-9-16(26-2)4-5-19(17)27-3/h4-9,11,18H,10H2,1-3H3,(H,24,25)
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n/an/a 28n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183824
PNG
(US9150526, 77)
Show SMILES COc1ccc(CO)cc1-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C21H20ClNO4S/c1-12-10-23-21(28-12)18(9-20(25)26)15-6-14(7-16(22)8-15)17-5-13(11-24)3-4-19(17)27-2/h3-8,10,18,24H,9,11H2,1-2H3,(H,25,26)
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n/an/a 29n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

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/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 US9029559 (2015)

More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183770
PNG
(US9150526, 20)
Show SMILES COc1cccc(OC)c1-c1cccc(c1)C(CC(O)=O)c1nccs1
Show InChI InChI=1/C20H19NO4S/c1-24-16-7-4-8-17(25-2)19(16)14-6-3-5-13(11-14)15(12-18(22)23)20-21-9-10-26-20/h3-11,15H,12H2,1-2H3,(H,22,23)
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n/an/a 30n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)

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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Article
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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...


Citation and Details
More data for this
Ligand-Target Pair
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