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Patent code US9345742

Compile Data Set for Download or QSAR
Found 42 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
Cathepsin D


(Homo sapiens (Human))		BDBM232262
PNG
(US9345742, 20)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C42H64N6O8/c1-11-27(6)36(39(52)48-35(26(4)5)40(53)55-10)46-33(49)24-30(43)31(22-28-18-14-12-15-19-28)44-38(51)34(25(2)3)47-37(50)32(23-29-20-16-13-17-21-29)45-41(54)56-42(7,8)9/h12-21,25-27,30-32,34-36H,11,22-24,43H2,1-10H3,(H,44,51)(H,45,54)(H,46,49)(H,47,50)(H,48,52)/t27-,30-,31-,32-,34-,35-,36-/m0/s1
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n/an/a 1n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232279
PNG
(US9345742, 37)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C37H52F3N5O7/c1-7-22(5)32(43-29(46)19-25-15-12-16-26(17-25)52-37(38,39)40)34(48)42-28(18-24-13-10-9-11-14-24)27(41)20-30(47)44-33(23(6)8-2)35(49)45-31(21(3)4)36(50)51/h9-17,21-23,27-28,31-33H,7-8,18-20,41H2,1-6H3,(H,42,48)(H,43,46)(H,44,47)(H,45,49)(H,50,51)/t22-,23-,27-,28-,31-,32-,33-/m0/s1
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n/an/a 3.20n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232284
PNG
(US9345742, 42)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(C)C)C(=O)N[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C41H64N6O6/c1-9-28(8)38(41(53)45-34(24-48)26(4)5)46-36(50)23-31(42)32(21-29-16-12-10-13-17-29)44-40(52)37(27(6)7)47-39(51)33(43-35(49)20-25(2)3)22-30-18-14-11-15-19-30/h10-19,25-28,31-34,37-38,48H,9,20-24,42H2,1-8H3,(H,43,49)(H,44,52)(H,45,53)(H,46,50)(H,47,51)/t28-,31-,32-,33-,34+,37-,38-/m0/s1
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n/an/a 3.60n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232270
PNG
(US9345742, 28)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C46H66N6O7/c1-27(2)22-37(48-39(53)23-28(3)4)43(55)51-41(29(5)6)45(57)50-36(24-31-16-11-10-12-17-31)35(47)26-40(54)49-38(44(56)52-42(30(7)8)46(58)59-9)25-33-20-15-19-32-18-13-14-21-34(32)33/h10-21,27-30,35-38,41-42H,22-26,47H2,1-9H3,(H,48,53)(H,49,54)(H,50,57)(H,51,55)(H,52,56)/t35-,36-,37-,38-,41-,42-/m0/s1
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n/an/a 3.70n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232261
PNG
(US9345742, 19)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C42H64N6O7/c1-10-28(8)38(41(53)48-37(27(6)7)42(54)55-9)46-35(50)24-31(43)32(22-29-17-13-11-14-18-29)45-40(52)36(26(4)5)47-39(51)33(44-34(49)21-25(2)3)23-30-19-15-12-16-20-30/h11-20,25-28,31-33,36-38H,10,21-24,43H2,1-9H3,(H,44,49)(H,45,52)(H,46,50)(H,47,51)(H,48,53)/t28-,31-,32-,33-,36-,37-,38-/m0/s1
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n/an/a 3.90n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232275
PNG
(US9345742, 33)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C41H62N6O7/c1-9-27(8)37(40(52)47-36(26(6)7)41(53)54)45-34(49)23-30(42)31(21-28-16-12-10-13-17-28)44-39(51)35(25(4)5)46-38(50)32(43-33(48)20-24(2)3)22-29-18-14-11-15-19-29/h10-19,24-27,30-32,35-37H,9,20-23,42H2,1-8H3,(H,43,48)(H,44,51)(H,45,49)(H,46,50)(H,47,52)(H,53,54)/t27-,30-,31-,32-,35-,36-,37-/m0/s1
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n/an/a 4.10n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232252
PNG
(US9345742, 10)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C39H66N6O7/c1-12-26(10)35(38(50)45-34(25(8)9)39(51)52-11)43-32(47)21-28(40)29(20-27-16-14-13-15-17-27)42-37(49)33(24(6)7)44-36(48)30(18-22(2)3)41-31(46)19-23(4)5/h13-17,22-26,28-30,33-35H,12,18-21,40H2,1-11H3,(H,41,46)(H,42,49)(H,43,47)(H,44,48)(H,45,50)/t26-,28-,29-,30-,33-,34-,35-/m0/s1
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n/an/a 5.10n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232257
PNG
(US9345742, 15)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C42H64N6O7/c1-25(2)20-33(44-35(49)21-26(3)4)39(51)47-37(27(5)6)41(53)46-32(22-29-16-12-10-13-17-29)31(43)24-36(50)45-34(23-30-18-14-11-15-19-30)40(52)48-38(28(7)8)42(54)55-9/h10-19,25-28,31-34,37-38H,20-24,43H2,1-9H3,(H,44,49)(H,45,50)(H,46,53)(H,47,51)(H,48,52)/t31-,32-,33-,34-,37-,38-/m0/s1
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n/an/a 5.70n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232276
PNG
(US9345742, 34)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C38H66N6O6/c1-11-26(10)35(38(50)42-31(21-45)24(6)7)43-33(47)20-28(39)29(19-27-15-13-12-14-16-27)41-37(49)34(25(8)9)44-36(48)30(17-22(2)3)40-32(46)18-23(4)5/h12-16,22-26,28-31,34-35,45H,11,17-21,39H2,1-10H3,(H,40,46)(H,41,49)(H,42,50)(H,43,47)(H,44,48)/t26-,28-,29-,30-,31+,34-,35-/m0/s1
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n/an/a 6.20n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232281
PNG
(US9345742, 39)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)NC(CC)CC |r|
Show InChI InChI=1S/C38H66N6O5/c1-11-26(10)35(38(49)40-28(12-2)13-3)43-33(46)22-29(39)30(21-27-17-15-14-16-18-27)42-37(48)34(25(8)9)44-36(47)31(19-23(4)5)41-32(45)20-24(6)7/h14-18,23-26,28-31,34-35H,11-13,19-22,39H2,1-10H3,(H,40,49)(H,41,45)(H,42,48)(H,43,46)(H,44,47)/t26-,29-,30-,31-,34-,35-/m0/s1
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n/an/a 9.90n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232274
PNG
(US9345742, 32)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C36H50F3N5O7/c1-7-22(6)32(34(48)44-31(21(4)5)35(49)50)43-29(46)19-26(40)27(17-23-12-9-8-10-13-23)41-33(47)30(20(2)3)42-28(45)18-24-14-11-15-25(16-24)51-36(37,38)39/h8-16,20-22,26-27,30-32H,7,17-19,40H2,1-6H3,(H,41,47)(H,42,45)(H,43,46)(H,44,48)(H,49,50)/t22-,26-,27-,30-,31-,32-/m0/s1
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n/an/a 12n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232249
PNG
(US9345742, 7)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C37H52F3N5O7/c1-8-23(6)33(35(49)45-32(22(4)5)36(50)51-7)44-30(47)20-27(41)28(18-24-13-10-9-11-14-24)42-34(48)31(21(2)3)43-29(46)19-25-15-12-16-26(17-25)52-37(38,39)40/h9-17,21-23,27-28,31-33H,8,18-20,41H2,1-7H3,(H,42,48)(H,43,46)(H,44,47)(H,45,49)/t23-,27-,28-,31-,32-,33-/m0/s1
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n/an/a 18n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232264
PNG
(US9345742, 22)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C36H51Cl2N5O7/c1-8-22(6)33(35(47)43-32(21(4)5)36(48)49-7)41-29(44)18-26(39)27(16-23-12-10-9-11-13-23)40-34(46)31(20(2)3)42-30(45)19-50-28-15-14-24(37)17-25(28)38/h9-15,17,20-22,26-27,31-33H,8,16,18-19,39H2,1-7H3,(H,40,46)(H,41,44)(H,42,45)(H,43,47)/t22-,26-,27-,31-,32-,33-/m0/s1
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n/an/a 27n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232278
PNG
(US9345742, 36)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C)C(=O)NCCC(C)C |r|
Show InChI InChI=1S/C36H52F3N5O5/c1-7-24(6)33(34(47)41-17-16-22(2)3)44-31(46)21-28(40)29(19-25-12-9-8-10-13-25)42-35(48)32(23(4)5)43-30(45)20-26-14-11-15-27(18-26)49-36(37,38)39/h8-15,18,22-24,28-29,32-33H,7,16-17,19-21,40H2,1-6H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)/t24-,28-,29-,32-,33-/m0/s1
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n/an/a 28n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232258
PNG
(US9345742, 16)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C39H66N6O8/c1-13-25(8)33(36(49)45-32(24(6)7)37(50)52-12)43-30(46)21-27(40)28(20-26-17-15-14-16-18-26)41-35(48)31(23(4)5)44-34(47)29(19-22(2)3)42-38(51)53-39(9,10)11/h14-18,22-25,27-29,31-33H,13,19-21,40H2,1-12H3,(H,41,48)(H,42,51)(H,43,46)(H,44,47)(H,45,49)/t25-,27-,28-,29-,31-,32-,33-/m0/s1
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n/an/a 36n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232286
PNG
(US9345742, 44)
Show SMILES CC(C)C[C@H](NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)N[C@H](COc1ccc(F)cc1F)C(C)C |r|
Show InChI InChI=1S/C38H57F2N5O5/c1-22(2)16-31(42-34(46)17-23(3)4)37(48)45-36(25(7)8)38(49)44-30(18-26-12-10-9-11-13-26)29(41)20-35(47)43-32(24(5)6)21-50-33-15-14-27(39)19-28(33)40/h9-15,19,22-25,29-32,36H,16-18,20-21,41H2,1-8H3,(H,42,46)(H,43,47)(H,44,49)(H,45,48)/t29-,30-,31-,32+,36-/m0/s1
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n/an/a 39n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232243
PNG
(US9345742, 1)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C38H64N6O8/c1-12-24(7)32(35(48)44-31(23(5)6)36(49)51-11)43-30(45)21-26(39)28(20-25-17-15-14-16-18-25)41-33(46)27(13-2)40-34(47)29(19-22(3)4)42-37(50)52-38(8,9)10/h14-18,22-24,26-29,31-32H,12-13,19-21,39H2,1-11H3,(H,40,47)(H,41,46)(H,42,50)(H,43,45)(H,44,48)/t24-,26-,27-,28-,29-,31-,32-/m0/s1
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n/an/a 40n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232269
PNG
(US9345742, 27)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)Nc1ccn(C)n1 |r|
Show InChI InChI=1S/C37H60N8O5/c1-10-25(8)34(37(50)41-30-16-17-45(9)44-30)42-32(47)21-27(38)28(20-26-14-12-11-13-15-26)40-36(49)33(24(6)7)43-35(48)29(18-22(2)3)39-31(46)19-23(4)5/h11-17,22-25,27-29,33-34H,10,18-21,38H2,1-9H3,(H,39,46)(H,40,49)(H,42,47)(H,43,48)(H,41,44,50)/t25-,27-,28-,29-,33-,34-/m0/s1
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n/an/a 46n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232255
PNG
(US9345742, 13)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC |r|
Show InChI InChI=1S/C40H68N6O7/c1-12-26(9)35(39(51)46-36(27(10)13-2)40(52)53-11)44-33(48)22-29(41)30(21-28-17-15-14-16-18-28)43-38(50)34(25(7)8)45-37(49)31(19-23(3)4)42-32(47)20-24(5)6/h14-18,23-27,29-31,34-36H,12-13,19-22,41H2,1-11H3,(H,42,47)(H,43,50)(H,44,48)(H,45,49)(H,46,51)/t26-,27-,29-,30-,31-,34-,35-,36-/m0/s1
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n/an/a 47n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232265
PNG
(US9345742, 23)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H64N6O7/c1-11-25(10)34(37(49)44-33(24(8)9)38(50)51)42-31(46)20-27(39)28(19-26-15-13-12-14-16-26)41-36(48)32(23(6)7)43-35(47)29(17-21(2)3)40-30(45)18-22(4)5/h12-16,21-25,27-29,32-34H,11,17-20,39H2,1-10H3,(H,40,45)(H,41,48)(H,42,46)(H,43,47)(H,44,49)(H,50,51)/t25-,27-,28-,29-,32-,33-,34-/m0/s1
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n/an/a 50n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232251
PNG
(US9345742, 9)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(NS(C)(=O)=O)c1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C37H56N6O8S/c1-9-24(6)34(36(47)42-33(23(4)5)37(48)51-7)41-31(45)21-28(38)29(19-25-14-11-10-12-15-25)39-35(46)32(22(2)3)40-30(44)20-26-16-13-17-27(18-26)43-52(8,49)50/h10-18,22-24,28-29,32-34,43H,9,19-21,38H2,1-8H3,(H,39,46)(H,40,44)(H,41,45)(H,42,47)/t24-,28-,29-,32-,33-,34-/m0/s1
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n/an/a 81n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232263
PNG
(US9345742, 21)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C37H56N6O6/c1-8-24(6)33(36(47)43-32(23(4)5)37(48)49-7)41-30(44)21-27(38)29(20-26-17-13-10-14-18-26)40-35(46)31(22(2)3)42-34(45)28(39)19-25-15-11-9-12-16-25/h9-18,22-24,27-29,31-33H,8,19-21,38-39H2,1-7H3,(H,40,46)(H,41,44)(H,42,45)(H,43,47)/t24-,27-,28-,29-,31-,32-,33-/m0/s1
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n/an/a 81n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232246
PNG
(US9345742, 4)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C38H64N6O7/c1-11-25(9)34(37(49)44-33(24(7)8)38(50)51-10)43-32(46)21-27(39)29(20-26-16-14-13-15-17-26)42-35(47)28(12-2)41-36(48)30(18-22(3)4)40-31(45)19-23(5)6/h13-17,22-25,27-30,33-34H,11-12,18-21,39H2,1-10H3,(H,40,45)(H,41,48)(H,42,47)(H,43,46)(H,44,49)/t25-,27-,28-,29-,30-,33-,34-/m0/s1
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n/an/a 97n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232254
PNG
(US9345742, 12)
Show SMILES CCOC(=O)C1(CC1)NC(=O)[C@@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)[C@@H](C)CC |r|
Show InChI InChI=1S/C39H64N6O7/c1-10-26(9)34(37(50)45-39(17-18-39)38(51)52-11-2)43-32(47)22-28(40)29(21-27-15-13-12-14-16-27)42-36(49)33(25(7)8)44-35(48)30(19-23(3)4)41-31(46)20-24(5)6/h12-16,23-26,28-30,33-34H,10-11,17-22,40H2,1-9H3,(H,41,46)(H,42,49)(H,43,47)(H,44,48)(H,45,50)/t26-,28-,29-,30-,33-,34-/m0/s1
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n/an/a 110n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232273
PNG
(US9345742, 31)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C40H68N6O7/c1-13-26(8)34(37(50)45-33(25(6)7)39(52)53-12)44-32(48)22-28(41)29(21-27-17-15-14-16-18-27)43-38(51)35(40(9,10)11)46-36(49)30(19-23(2)3)42-31(47)20-24(4)5/h14-18,23-26,28-30,33-35H,13,19-22,41H2,1-12H3,(H,42,47)(H,43,51)(H,44,48)(H,45,50)(H,46,49)/t26-,28-,29-,30-,33-,34-,35+/m0/s1
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n/an/a 120n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232256
PNG
(US9345742, 14)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
Show InChI InChI=1S/C40H68N6O7/c1-12-27(10)36(39(51)44-32(19-24(4)5)40(52)53-11)45-34(48)22-29(41)30(21-28-16-14-13-15-17-28)43-38(50)35(26(8)9)46-37(49)31(18-23(2)3)42-33(47)20-25(6)7/h13-17,23-27,29-32,35-36H,12,18-22,41H2,1-11H3,(H,42,47)(H,43,50)(H,44,51)(H,45,48)(H,46,49)/t27-,29-,30-,31-,32-,35-,36-/m0/s1
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n/an/a 160n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232271
PNG
(US9345742, 29)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H62N6O5/c1-9-28(8)37(39(50)42-24-30-18-14-11-15-19-30)45-35(48)23-31(41)32(22-29-16-12-10-13-17-29)44-40(51)36(27(6)7)46-38(49)33(20-25(2)3)43-34(47)21-26(4)5/h10-19,25-28,31-33,36-37H,9,20-24,41H2,1-8H3,(H,42,50)(H,43,47)(H,44,51)(H,45,48)(H,46,49)/t28-,31-,32-,33-,36-,37-/m0/s1
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n/an/a 180n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232277
PNG
(US9345742, 35)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C |r|
Show InChI InChI=1S/C33H46F3N5O5/c1-20(2)14-15-38-31(44)22(5)39-29(43)19-26(37)27(17-23-10-7-6-8-11-23)40-32(45)30(21(3)4)41-28(42)18-24-12-9-13-25(16-24)46-33(34,35)36/h6-13,16,20-22,26-27,30H,14-15,17-19,37H2,1-5H3,(H,38,44)(H,39,43)(H,40,45)(H,41,42)/t22-,26-,27-,30-/m0/s1
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n/an/a 190n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232250
PNG
(US9345742, 8)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C40H55N5O7/c1-8-26(6)37(39(49)45-36(25(4)5)40(50)51-7)43-33(46)22-30(41)31(21-27-15-10-9-11-16-27)42-38(48)35(24(2)3)44-34(47)23-52-32-20-14-18-28-17-12-13-19-29(28)32/h9-20,24-26,30-31,35-37H,8,21-23,41H2,1-7H3,(H,42,48)(H,43,46)(H,44,47)(H,45,49)/t26-,30-,31-,35-,36-,37-/m0/s1
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n/an/a 200n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232280
PNG
(US9345742, 38)
Show SMILES CCc1cccc(CC)c1NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C |r|
Show InChI InChI=1S/C37H57N5O4/c1-9-27-17-14-18-28(10-2)35(27)41-33(44)22-29(38)30(21-26-15-12-11-13-16-26)40-37(46)34(25(7)8)42-36(45)31(19-23(3)4)39-32(43)20-24(5)6/h11-18,23-25,29-31,34H,9-10,19-22,38H2,1-8H3,(H,39,43)(H,40,46)(H,41,44)(H,42,45)/t29-,30-,31-,34-/m0/s1
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n/an/a 230n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232285
PNG
(US9345742, 43)
Show SMILES CC(C)C[C@H](NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)N[C@H](COc1cccnc1)C(C)C |r|
Show InChI InChI=1S/C37H58N6O5/c1-23(2)17-31(40-33(44)18-24(3)4)36(46)43-35(26(7)8)37(47)42-30(19-27-13-10-9-11-14-27)29(38)20-34(45)41-32(25(5)6)22-48-28-15-12-16-39-21-28/h9-16,21,23-26,29-32,35H,17-20,22,38H2,1-8H3,(H,40,44)(H,41,45)(H,42,47)(H,43,46)/t29-,30-,31-,32+,35-/m0/s1
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n/an/a 240n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232266
PNG
(US9345742, 24)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C41H64N6O5/c1-9-29(8)38(40(51)43-21-20-30-16-12-10-13-17-30)46-36(49)25-32(42)33(24-31-18-14-11-15-19-31)45-41(52)37(28(6)7)47-39(50)34(22-26(2)3)44-35(48)23-27(4)5/h10-19,26-29,32-34,37-38H,9,20-25,42H2,1-8H3,(H,43,51)(H,44,48)(H,45,52)(H,46,49)(H,47,50)/t29-,32-,33-,34-,37-,38-/m0/s1
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n/an/a 240n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232287
PNG
(US9345742, 45)
Show SMILES CC(C)C[C@H](NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)N[C@@H](COc1cccnc1)C(C)C |r|
Show InChI InChI=1S/C37H58N6O5/c1-23(2)17-31(40-33(44)18-24(3)4)36(46)43-35(26(7)8)37(47)42-30(19-27-13-10-9-11-14-27)29(38)20-34(45)41-32(25(5)6)22-48-28-15-12-16-39-21-28/h9-16,21,23-26,29-32,35H,17-20,22,38H2,1-8H3,(H,40,44)(H,41,45)(H,42,47)(H,43,46)/t29-,30-,31-,32-,35-/m0/s1
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n/an/a 280n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232272
PNG
(US9345742, 30)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)NCC1CC1 |r|
Show InChI InChI=1S/C37H62N6O5/c1-9-25(8)34(36(47)39-21-27-15-16-27)42-32(45)20-28(38)29(19-26-13-11-10-12-14-26)41-37(48)33(24(6)7)43-35(46)30(17-22(2)3)40-31(44)18-23(4)5/h10-14,22-25,27-30,33-34H,9,15-21,38H2,1-8H3,(H,39,47)(H,40,44)(H,41,48)(H,42,45)(H,43,46)/t25-,28-,29-,30-,33-,34-/m0/s1
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n/an/a 400n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232283
PNG
(US9345742, 41)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)[C@@H](C)CC)C(=O)N[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C37H54F3N5O6/c1-7-23(5)33(44-31(47)19-26-15-12-16-27(17-26)51-37(38,39)40)35(49)42-29(18-25-13-10-9-11-14-25)28(41)20-32(48)45-34(24(6)8-2)36(50)43-30(21-46)22(3)4/h9-17,22-24,28-30,33-34,46H,7-8,18-21,41H2,1-6H3,(H,42,49)(H,43,50)(H,44,47)(H,45,48)/t23-,24-,28-,29-,30+,33-,34-/m0/s1
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n/an/a 480n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232267
PNG
(US9345742, 25)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C38H59N7O5/c1-9-26(8)35(38(50)41-28-16-13-17-40-22-28)44-33(47)21-29(39)30(20-27-14-11-10-12-15-27)43-37(49)34(25(6)7)45-36(48)31(18-23(2)3)42-32(46)19-24(4)5/h10-17,22-26,29-31,34-35H,9,18-21,39H2,1-8H3,(H,41,50)(H,42,46)(H,43,49)(H,44,47)(H,45,48)/t26-,29-,30-,31-,34-,35-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232253
PNG
(US9345742, 11)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O7/c1-10-29(8)39(42(54)49-38(28(6)7)43(55)56-9)48-37(51)25-32(44)33(23-30-17-13-11-14-18-30)46-41(53)35(24-31-19-15-12-16-20-31)47-40(52)34(21-26(2)3)45-36(50)22-27(4)5/h11-20,26-29,32-35,38-39H,10,21-25,44H2,1-9H3,(H,45,50)(H,46,53)(H,47,52)(H,48,51)(H,49,54)/t29-,32-,33-,34-,35-,38-,39-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232282
PNG
(US9345742, 40)
Show SMILES CCc1cccc(CC)c1NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCCc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C36H48N4O3/c1-5-28-20-14-21-29(6-2)35(28)40-33(42)24-30(37)31(23-27-17-11-8-12-18-27)38-36(43)34(25(3)4)39-32(41)22-13-19-26-15-9-7-10-16-26/h7-12,14-18,20-21,25,30-31,34H,5-6,13,19,22-24,37H2,1-4H3,(H,38,43)(H,39,41)(H,40,42)/t30-,31-,34-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232248
PNG
(US9345742, 6)
Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)NCCc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C34H49Cl2N5O4/c1-6-28(40-34(45)30(16-21(2)3)39-32(43)17-22(4)5)33(44)41-29(19-23-10-8-7-9-11-23)27(37)20-31(42)38-15-14-24-12-13-25(35)26(36)18-24/h7-13,18,21-22,27-30H,6,14-17,19-20,37H2,1-5H3,(H,38,42)(H,39,43)(H,40,45)(H,41,44)/t27-,28-,29-,30-/m0/s1
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n/an/a 1.20E+3n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232247
PNG
(US9345742, 5)
Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)NCCc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C35H51N5O6/c1-6-27(39-35(44)29(16-22(2)3)38-33(42)17-23(4)5)34(43)40-28(18-24-10-8-7-9-11-24)26(36)20-32(41)37-15-14-25-12-13-30-31(19-25)46-21-45-30/h7-13,19,22-23,26-29H,6,14-18,20-21,36H2,1-5H3,(H,37,41)(H,38,42)(H,39,44)(H,40,43)/t26-,27-,28-,29-/m0/s1
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n/an/a 1.80E+3n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232244
PNG
(US9345742, 2)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@H](CC)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C33H56N6O6/c1-9-21(7)29(32(43)39-28(20(5)6)33(44)45-8)38-27(40)18-23(34)26(17-22-14-12-11-13-15-22)37-31(42)25(10-2)36-30(41)24(35)16-19(3)4/h11-15,19-21,23-26,28-29H,9-10,16-18,34-35H2,1-8H3,(H,36,41)(H,37,42)(H,38,40)(H,39,43)/t21-,23-,24-,25-,26-,28-,29-/m0/s1
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n/an/a 2.00E+3n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM232245
PNG
(US9345742, 3)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C34H57N5O6/c1-10-23(8)31(33(43)39-30(22(6)7)34(44)45-9)38-29(41)19-25(35)26(18-24-14-12-11-13-15-24)37-32(42)27(16-20(2)3)36-28(40)17-21(4)5/h11-15,20-23,25-27,30-31H,10,16-19,35H2,1-9H3,(H,36,40)(H,37,42)(H,38,41)(H,39,43)/t23-,25-,26-,27-,30-,31-/m0/s1
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n/an/a 5.50E+3n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%