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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50040588   
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
Lysosomal protective protein


(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 |r|
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
Lysosomal protective protein


(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 |r|
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)
Lysosomal protective protein


(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 |r|
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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50396557
PNG
(CHEMBL2171397)
Show SMILES CCOc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
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 CYP3A4


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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50396556
PNG
(CHEMBL2171398)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC2CC2)n(n1)-c1ccccc1F |r|
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 CYP3A4


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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396556
PNG
(CHEMBL2171398)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC2CC2)n(n1)-c1ccccc1F |r|
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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396557
PNG
(CHEMBL2171397)
Show SMILES CCOc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
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
Lysosomal protective protein


(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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50396555
PNG
(CHEMBL2171396)
Show SMILES COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
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 CYP3A4


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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396555
PNG
(CHEMBL2171396)
Show SMILES COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396587
PNG
(CHEMBL2171399)
Show SMILES COc1c(F)c(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50396558
PNG
(CHEMBL2171403)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F |r|
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 CYP3A4


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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396558
PNG
(CHEMBL2171403)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F |r|
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)
Lysosomal protective protein


(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 |r|
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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396582
PNG
(CHEMBL2171405)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1Cl |r|
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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396581
PNG
(CHEMBL2171406)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1cccc(F)c1 |r|
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
Lysosomal protective protein


(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 |r|
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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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
Lysosomal protective protein


(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 |r|
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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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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396566
PNG
(CHEMBL2171388)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1 |r|
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
Lysosomal protective protein


(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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396578
PNG
(CHEMBL2171604)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccc(F)cc1 |r|
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
Lysosomal protective protein


(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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396584
PNG
(CHEMBL2171402)
Show SMILES COc1cn(nc1C(=O)N[C@@H](CC(O)=O)c1ccccc1C)-c1ccccc1 |r|
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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396576
PNG
(CHEMBL2171605)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1cccc(Cl)c1 |r|
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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396585
PNG
(CHEMBL2171401)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1nn(cc1O)-c1ccccc1 |r|
Show InChI InChI=1S/C20H19N3O4/c1-13-7-5-6-10-15(13)16(11-18(25)26)21-20(27)19-17(24)12-23(22-19)14-8-3-2-4-9-14/h2-10,12,16,24H,11H2,1H3,(H,21,27)(H,25,26)/t16-/m0/s1
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n/an/a 110n/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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396586
PNG
(CHEMBL2171400)
Show SMILES COc1c(Cl)c(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H19ClFN3O4/c1-12-7-3-4-8-13(12)15(11-17(27)28)24-20(29)19-18(22)21(30-2)26(25-19)16-10-6-5-9-14(16)23/h3-10,15H,11H2,1-2H3,(H,24,29)(H,27,28)/t15-/m0/s1
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n/an/a 110n/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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396577
PNG
(CHEMBL2169904)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccc(F)cc1F)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H13Cl2F2N3O4/c20-11-3-1-2-10(18(11)21)13(8-17(28)29)24-19(30)14-7-16(27)26(25-14)15-5-4-9(22)6-12(15)23/h1-7,13,25H,8H2,(H,24,30)(H,28,29)
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n/an/a 120n/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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396575
PNG
(CHEMBL2171606)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H21N3O5/c29-23-15-22(27-28(23)18-7-3-1-4-8-18)25(32)26-21(16-24(30)31)17-11-13-20(14-12-17)33-19-9-5-2-6-10-19/h1-15,21,27H,16H2,(H,26,32)(H,30,31)
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n/an/a 200n/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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396574
PNG
(CHEMBL2171607)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccccc1
Show InChI InChI=1S/C19H16FN3O4/c20-13-8-4-5-9-16(13)23-17(24)10-15(22-23)19(27)21-14(11-18(25)26)12-6-2-1-3-7-12/h1-10,14,22H,11H2,(H,21,27)(H,25,26)
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n/an/a 226n/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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396573
PNG
(CHEMBL2171608)
Show SMILES Cc1cccc(c1)[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F |r|
Show InChI InChI=1S/C20H18FN3O4/c1-12-5-4-6-13(9-12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-8-3-2-7-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1
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n/an/a 252n/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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396572
PNG
(CHEMBL2171382)
Show SMILES Cc1ccc(cc1)[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F |r|
Show InChI InChI=1S/C20H18FN3O4/c1-12-6-8-13(9-7-12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-5-3-2-4-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1
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n/an/a 274n/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
Neprilysin


(Homo sapiens (Human))
BDBM50396567
PNG
(CHEMBL2171387)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H14Cl3N3O4/c20-10-1-4-12(5-2-10)25-17(26)8-16(24-25)19(29)23-15(9-18(27)28)13-7-11(21)3-6-14(13)22/h1-8,15,24H,9H2,(H,23,29)(H,27,28)
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n/an/a 300n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Mca-RPPGFSAFK(Dnp)-OH as substrate incubated for 15 mins prior to substrate addition measured after 20 to 3...


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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396571
PNG
(CHEMBL2171383)
Show SMILES COc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F |r|
Show InChI InChI=1S/C20H18FN3O5/c1-29-17-9-5-2-6-12(17)14(11-19(26)27)22-20(28)15-10-18(25)24(23-15)16-8-4-3-7-13(16)21/h2-10,14,23H,11H2,1H3,(H,22,28)(H,26,27)/t14-/m0/s1
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n/an/a 357n/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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396570
PNG
(CHEMBL2171384)
Show SMILES OC(=O)C[C@H](NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C20H15F4N3O4/c21-13-7-3-4-8-16(13)27-17(28)9-15(26-27)19(31)25-14(10-18(29)30)11-5-1-2-6-12(11)20(22,23)24/h1-9,14,26H,10H2,(H,25,31)(H,29,30)/t14-/m0/s1
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n/an/a 375n/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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396569
PNG
(CHEMBL2171385)
Show SMILES Cc1ccc(C)c(c1)-n1[nH]c(cc1=O)C(=O)NC(CC(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H25N3O4/c1-17-8-9-18(2)24(14-17)30-25(31)15-23(29-30)27(34)28-22(16-26(32)33)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-15,22,29H,16H2,1-2H3,(H,28,34)(H,32,33)
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n/an/a 803n/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
Neprilysin


(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 |r|
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>1.00E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Mca-RPPGFSAFK(Dnp)-OH as substrate incubated for 15 mins prior to substrate addition measured after 20 to 3...


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
Neprilysin


(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 |r|
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>1.00E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Mca-RPPGFSAFK(Dnp)-OH as substrate incubated for 15 mins prior to substrate addition measured after 20 to 3...


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
Neprilysin


(Homo sapiens (Human))
BDBM50396555
PNG
(CHEMBL2171396)
Show SMILES COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
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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PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Mca-RPPGFSAFK(Dnp)-OH as substrate incubated for 15 mins prior to substrate addition measured after 20 to 3...


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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396568
PNG
(CHEMBL2171386)
Show SMILES Cc1ccc(C)c(c1)-n1[nH]c(cc1=O)C(=O)NC(CC(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O4/c1-12-3-4-13(2)18(9-12)25-19(26)10-17(24-25)21(29)23-16(11-20(27)28)14-5-7-15(22)8-6-14/h3-10,16,24H,11H2,1-2H3,(H,23,29)(H,27,28)
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n/an/a 5.38E+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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396565
PNG
(CHEMBL2171389)
Show SMILES Cc1ccccc1[C@@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1 |r|
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-/m1/s1
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n/an/a 7.80E+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
Neprilysin


(Homo sapiens (Human))
BDBM50396556
PNG
(CHEMBL2171398)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC2CC2)n(n1)-c1ccccc1F |r|
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 2.70E+4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Mca-RPPGFSAFK(Dnp)-OH as substrate incubated for 15 mins prior to substrate addition measured after 20 to 3...


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
Lysosomal protective protein


(Homo sapiens (Human))
BDBM50396567
PNG
(CHEMBL2171387)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H14Cl3N3O4/c20-10-1-4-12(5-2-10)25-17(26)8-16(24-25)19(29)23-15(9-18(27)28)13-7-11(21)3-6-14(13)22/h1-8,15,24H,9H2,(H,23,29)(H,27,28)
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n/an/a>3.00E+4n/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