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71 similar compounds to monomer 157017

Compile data set for download or QSAR
Wt: 422.4
BDBM47277
Wt: 426.4
BDBM156854
Wt: 426.4
BDBM47332
Wt: 391.4
BDBM47331
Wt: 492.8
BDBM156784
Wt: 426.4
BDBM156785
Wt: 422.4
BDBM156792
Wt: 418.4
BDBM156793
Wt: 418.4
BDBM156795
Wt: 478.8
BDBM156891
Wt: 461.5
BDBM156798
Wt: 422.4
BDBM156799
Wt: 478.8
BDBM156899
Wt: 424.8
BDBM156900
Wt: 442.8
BDBM157002
Displayed 1 to 15 (of 71 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 47277,156854,47332,47331,156784,156785,156792,156793,156795,156891,156798,156799,156899,156900,157002   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin A (CTSA)


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

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US Patent
n/an/a 5.45E+3n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
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
PDB

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US Patent
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
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156784
PNG
(US9029559, 211)
Show SMILES COc1ccc(nc1-c1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H20ClF3N2O4/c1-13-3-5-14(6-4-13)19(12-21(31)32)30-23(33)18-9-10-20(34-2)22(29-18)16-11-15(24(26,27)28)7-8-17(16)25/h3-11,19H,12H2,1-2H3,(H,30,33)(H,31,32)/t19-/m0/s1
PDB

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US Patent
n/an/a 421n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
BDBM156785
PNG
(US9029559, 212)
Show SMILES COc1ccc(nc1-c1cccc(F)c1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H20F2N2O4/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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US Patent
n/an/a 150n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
BDBM156792
PNG
(US9029559, 221)
Show SMILES COc1ccc(nc1-c1ccc(F)cc1C)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H23FN2O4/c1-14-4-6-16(7-5-14)20(13-22(28)29)27-24(30)19-10-11-21(31-3)23(26-19)18-9-8-17(25)12-15(18)2/h4-12,20H,13H2,1-3H3,(H,27,30)(H,28,29)/t20-/m0/s1
PDB

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US Patent
n/an/a 239n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
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
PDB

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US Patent
n/an/a 37n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
BDBM156795
PNG
(US9029559, 224)
Show SMILES COc1ccc(nc1-c1ccc(C)cc1C)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H26N2O4/c1-15-5-8-18(9-6-15)21(14-23(28)29)27-25(30)20-11-12-22(31-4)24(26-20)19-10-7-16(2)13-17(19)3/h5-13,21H,14H2,1-4H3,(H,27,30)(H,28,29)/t21-/m0/s1
PDB

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US Patent
n/an/a 3.39E+3n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
BDBM156798
PNG
(US9029559, 228)
Show SMILES COc1ccc(nc1-c1ccccc1C(=O)N(C)C)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H27N3O5/c1-16-9-11-17(12-10-16)21(15-23(30)31)28-25(32)20-13-14-22(34-4)24(27-20)18-7-5-6-8-19(18)26(33)29(2)3/h5-14,21H,15H2,1-4H3,(H,28,32)(H,30,31)/t21-/m0/s1
PDB

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US Patent
n/an/a 3.96E+3n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
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
PDB

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US Patent
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
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM156854
PNG
(US9029559, 288)
Show SMILES COc1ccc(nc1-c1ccc(F)cc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H20F2N2O4/c1-13-11-14(24)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)25/h3-11,19H,12H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1
PDB

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US Patent
n/an/a 394n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
BDBM47277
PNG
(BDB47277 | US9029559, 289)
Show SMILES COc1ccc(nc1-c1cccc(C)c1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C24H23FN2O4/c1-14-7-6-9-16(15(14)2)23-21(31-3)12-11-19(26-23)24(30)27-20(13-22(28)29)17-8-4-5-10-18(17)25/h4-12,20H,13H2,1-3H3,(H,27,30)(H,28,29)/t20-/m0/s1
PDB

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n/an/a 52.8n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
BDBM156891
PNG
(US9029559, 329)
Show SMILES COc1ccc(nc1-c1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H18ClF3N2O4/c1-33-19-10-9-17(28-21(19)13-5-4-6-14(11-13)23(25,26)27)22(32)29-18(12-20(30)31)15-7-2-3-8-16(15)24/h2-11,18H,12H2,1H3,(H,29,32)(H,30,31)/t18-/m0/s1
PDB

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US Patent
n/an/a 3.74E+3n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
BDBM156899
PNG
(US9029559, 337)
Show SMILES COc1ccc(nc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H18ClF3N2O4/c1-33-19-11-10-17(28-21(19)13-6-8-14(9-7-13)23(25,26)27)22(32)29-18(12-20(30)31)15-4-2-3-5-16(15)24/h2-11,18H,12H2,1H3,(H,29,32)(H,30,31)/t18-/m0/s1
PDB

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US Patent
n/an/a 9.50E+3n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
BDBM156900
PNG
(US9029559, 338)
Show SMILES COc1ccc(nc1-c1ccccc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H21ClN2O4/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>1.00E+4n/an/an/an/a5.525



SANOFI

US Patent


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


US Patent US9029559 (2015)


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


(Homo sapiens (Human))
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
PDB

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US Patent
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