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Patent code US9029559

Compile Data Set for Download or QSAR

Found 503 hits of Enzyme Inhibition Constant Data   
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))		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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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
Lysosomal protective protein


(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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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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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
Lysosomal protective protein


(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
PDB

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n/an/a 81.3n/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
Lysosomal protective protein


(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



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
Lysosomal protective protein


(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



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
Lysosomal protective protein


(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



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
Lysosomal protective protein


(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



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
Lysosomal protective protein


(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



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
Lysosomal protective protein


(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



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
Lysosomal protective protein


(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



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
Lysosomal protective protein


(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



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
Lysosomal protective protein


(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



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
Lysosomal protective protein


(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



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
Lysosomal protective protein


(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



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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM157108
PNG
(US9029559, 588)
Show SMILES OC(=O)C[C@H](NC(=O)c1cccc(n1)-c1ccccc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C21H16ClFN2O3/c22-16-5-2-1-4-15(16)17-6-3-7-18(24-17)21(28)25-19(12-20(26)27)13-8-10-14(23)11-9-13/h1-11,19H,12H2,(H,25,28)(H,26,27)/t19-/m0/s1
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n/an/a 107n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM157010
PNG
(US9029559, 457)
Show SMILES COc1ccc(nc1-c1ccc(F)cc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H20ClFN2O5/c1-31-19-10-9-17(26-22(19)15-8-7-13(25)11-20(15)32-2)23(30)27-18(12-21(28)29)14-5-3-4-6-16(14)24/h3-11,18H,12H2,1-2H3,(H,27,30)(H,28,29)/t18-/m0/s1
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n/an/a 107n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM157013
PNG
(US9029559, 460)
Show SMILES COc1ccc(F)cc1-c1nc(ccc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H20ClFN2O5/c1-31-19-9-7-13(25)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)24/h3-11,18H,12H2,1-2H3,(H,27,30)(H,28,29)/t18-/m0/s1
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n/an/a 107n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM157027
PNG
(US9029559, 477)
Show SMILES COc1ccc(nc1-c1cccc(Cl)c1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O4/c1-13-14(7-5-9-16(13)24)22-20(31-2)11-10-18(26-22)23(30)27-19(12-21(28)29)15-6-3-4-8-17(15)25/h3-11,19H,12H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1
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n/an/a 110n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM157002
PNG
(US9029559, 447)
Show SMILES COc1ccc(nc1-c1ccc(F)cc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H20ClFN2O4/c1-13-11-14(25)7-8-15(13)22-20(31-2)10-9-18(26-22)23(30)27-19(12-21(28)29)16-5-3-4-6-17(16)24/h3-11,19H,12H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1
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n/an/a 111n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM156799
PNG
(US9029559, 230)
Show SMILES COc1ccc(nc1-c1cc(F)ccc1C)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H23FN2O4/c1-14-4-7-16(8-5-14)20(13-22(28)29)27-24(30)19-10-11-21(31-3)23(26-19)18-12-17(25)9-6-15(18)2/h4-12,20H,13H2,1-3H3,(H,27,30)(H,28,29)/t20-/m0/s1
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n/an/a 111n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM156849
PNG
(US9029559, 281)
Show SMILES COc1ccc(nc1-c1cccc(Cl)c1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C22H17Cl2FN2O4/c1-31-18-10-9-16(26-21(18)13-6-4-7-14(23)20(13)24)22(30)27-17(11-19(28)29)12-5-2-3-8-15(12)25/h2-10,17H,11H2,1H3,(H,27,30)(H,28,29)/t17-/m0/s1
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n/an/a 114n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM47349
PNG
(US9029559, 482)
Show SMILES COc1ccc(nc1-c1ccncc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C21H17ClFN3O4/c1-30-18-7-6-16(25-20(18)13-8-9-24-11-15(13)23)21(29)26-17(10-19(27)28)12-4-2-3-5-14(12)22/h2-9,11,17H,10H2,1H3,(H,26,29)(H,27,28)/t17-/m0/s1
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n/an/a 115n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM156985
PNG
(US9029559, 428)
Show SMILES COc1ccccc1-c1nc(ccc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H21ClN2O5/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 116n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM47345
PNG
(US9029559, 470)
Show SMILES COc1ccc(nc1-c1cc(C)ncc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C23H22FN3O4/c1-13-6-4-5-7-15(13)19(11-21(28)29)27-23(30)18-8-9-20(31-3)22(26-18)16-10-14(2)25-12-17(16)24/h4-10,12,19H,11H2,1-3H3,(H,27,30)(H,28,29)/t19-/m0/s1
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n/an/a 118n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM156769
PNG
(US9029559, 196)
Show SMILES COc1ccccc1-c1nc(ccc1OC)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O5/c1-15-8-10-16(11-9-15)19(14-22(27)28)26-24(29)18-12-13-21(31-3)23(25-18)17-6-4-5-7-20(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 119n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM156890
PNG
(US9029559, 328)
Show SMILES COc1ccc(nc1-c1cccc(C)c1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H20ClFN2O4/c1-13-6-5-8-15(21(13)24)22-19(31-2)11-10-17(26-22)23(30)27-18(12-20(28)29)14-7-3-4-9-16(14)25/h3-11,18H,12H2,1-2H3,(H,27,30)(H,28,29)/t18-/m0/s1
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n/an/a 119n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM157009
PNG
(US9029559, 456)
Show SMILES COc1ccc(nc1-c1cc(F)ccc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H20ClFN2O4/c1-13-7-8-14(25)11-16(13)22-20(31-2)10-9-18(26-22)23(30)27-19(12-21(28)29)15-5-3-4-6-17(15)24/h3-11,19H,12H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1
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n/an/a 119n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM156846
PNG
(US9029559, 278)
Show SMILES COc1ccc(nc1-c1ccc(F)cc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C22H17F3N2O4/c1-31-19-9-8-17(26-21(19)14-7-6-12(23)10-16(14)25)22(30)27-18(11-20(28)29)13-4-2-3-5-15(13)24/h2-10,18H,11H2,1H3,(H,27,30)(H,28,29)/t18-/m0/s1
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SANOFI

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...

US Patent US9029559 (2015)


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


(Homo sapiens (Human))		BDBM47332
PNG
(US9029559, 366)
Show SMILES COc1ccc(nc1-c1cc(F)ccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C23H20F2N2O4/c1-13-5-3-4-6-15(13)19(12-21(28)29)27-23(30)18-9-10-20(31-2)22(26-18)16-11-14(24)7-8-17(16)25/h3-11,19H,12H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1
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n/an/a 121n/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
Lysosomal protective protein


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


(Homo sapiens (Human))		BDBM156738
PNG
(US9029559, 158)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cccc(n1)-c1cc(F)ccc1F
Show InChI InChI=1S/C22H18F2N2O3/c1-13-5-2-3-6-15(13)20(12-21(27)28)26-22(29)19-8-4-7-18(25-19)16-11-14(23)9-10-17(16)24/h2-11,20H,12H2,1H3,(H,26,29)(H,27,28)/t20-/m0/s1
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n/an/a 126n/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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM156686
PNG
(US9029559, 37)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O3/c1-15-8-5-6-11-17(15)20(14-21(25)26)24-22(27)19-13-7-12-18(23-19)16-9-3-2-4-10-16/h2-13,20H,14H2,1H3,(H,24,27)(H,25,26)/t20-/m0/s1
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US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...

US Patent US9029559 (2015)


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


(Homo sapiens (Human))		BDBM157037
PNG
(US9029559, 489)
Show SMILES COc1ccc(nc1-c1cccc(Cl)c1F)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(24)20(13)25)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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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
Lysosomal protective protein


(Homo sapiens (Human))		BDBM156930
PNG
(US9029559, 369)
Show SMILES COc1ccc(nc1-c1cccc(C)c1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C25H26N2O4/c1-15-9-7-11-19(17(15)3)24-22(31-4)13-12-20(26-24)25(30)27-21(14-23(28)29)18-10-6-5-8-16(18)2/h5-13,21H,14H2,1-4H3,(H,27,30)(H,28,29)/t21-/m0/s1
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SANOFI

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...

US Patent US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%