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Compile Data Set for Download or QSAR

Found 319 hits Enz. Inhib. hit(s) with Target = 'Cathepsin D' AND taxid = 9913   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin D


(Bos taurus)
BDBM50025505
PNG
(3-Hydroxy-4-[2-(3-hydroxy-6-methyl-4-{3-methyl-2-[...)
Show SMILES CC(C)C[C@@H](NC(=O)C(C)NC(=O)C[C@@H](O)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22?,23?,24-,25-,26-,30-,31?/m1/s1
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025541
PNG
(3-Hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](O)C(Cc1ccccc1)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C34H57N5O6/c1-20(2)15-16-35-32(43)24(9)36-29(42)19-27(40)26(18-25-13-11-10-12-14-25)37-33(44)31(23(7)8)39-34(45)30(22(5)6)38-28(41)17-21(3)4/h10-14,20-24,26-27,30-31,40H,15-19H2,1-9H3,(H,35,43)(H,36,42)(H,37,44)(H,38,41)(H,39,45)/t24?,26?,27-,30+,31?/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025528
PNG
(2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phenyl...)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C43H72N6O10/c1-24(2)19-30(34(50)23-35(51)49-36(27(7)8)40(55)47-33(21-26(5)6)41(56)58-13)45-39(54)31(20-25(3)4)46-37(52)28(9)44-38(53)32(22-29-17-15-14-16-18-29)48-42(57)59-43(10,11)12/h14-18,24-28,30-34,36,50H,19-23H2,1-13H3,(H,44,53)(H,45,54)(H,46,52)(H,47,55)(H,48,57)(H,49,51)
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025531
PNG
(CHEMBL311504 | [1-(1-{1-Benzyl-2-hydroxy-3-[1-(3-m...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](O)C(Cc1ccccc1)NC(=O)C(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C34H57N5O7/c1-20(2)16-17-35-30(42)23(7)36-27(41)19-26(40)25(18-24-14-12-11-13-15-24)37-31(43)28(21(3)4)38-32(44)29(22(5)6)39-33(45)46-34(8,9)10/h11-15,20-23,25-26,28-29,40H,16-19H2,1-10H3,(H,35,42)(H,36,41)(H,37,43)(H,38,44)(H,39,45)/t23?,25?,26-,28?,29+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025533
PNG
(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](O)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H59N5O6/c1-17(2)12-13-32-29(40)22(11)33-26(39)16-24(37)23(14-18(3)4)34-30(41)28(21(9)10)36-31(42)27(20(7)8)35-25(38)15-19(5)6/h17-24,27-28,37H,12-16H2,1-11H3,(H,32,40)(H,33,39)(H,34,41)(H,35,38)(H,36,42)/t22?,23?,24-,27-,28?/m1/s1
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025514
PNG
(2-{2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phe...)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C52H81N7O11/c1-30(2)24-37(55-45(62)34(9)53-46(63)38(25-31(3)4)56-47(64)40(28-36-22-18-15-19-23-36)58-51(68)70-52(10,11)12)42(60)29-43(61)54-39(27-35-20-16-14-17-21-35)48(65)59-44(33(7)8)49(66)57-41(26-32(5)6)50(67)69-13/h14-23,30-34,37-42,44,60H,24-29H2,1-13H3,(H,53,63)(H,54,61)(H,55,62)(H,56,64)(H,57,66)(H,58,68)(H,59,65)
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5.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025515
PNG
(2-{2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phe...)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C55H79N7O11/c1-33(2)27-40(45(63)32-46(64)57-41(29-37-21-15-12-16-22-37)51(68)62-47(35(5)6)52(69)60-44(28-34(3)4)53(70)72-11)58-48(65)36(7)56-49(66)42(30-38-23-17-13-18-24-38)59-50(67)43(31-39-25-19-14-20-26-39)61-54(71)73-55(8,9)10/h12-26,33-36,40-45,47,63H,27-32H2,1-11H3,(H,56,66)(H,57,64)(H,58,65)(H,59,67)(H,60,69)(H,61,71)(H,62,68)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025513
PNG
(2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phenyl...)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C40H66N6O10/c1-22(2)18-28(31(47)21-32(48)46-33(24(5)6)37(52)44-30(19-23(3)4)38(53)55-12)43-35(50)26(8)41-34(49)25(7)42-36(51)29(20-27-16-14-13-15-17-27)45-39(54)56-40(9,10)11/h13-17,22-26,28-31,33,47H,18-21H2,1-12H3,(H,41,49)(H,42,51)(H,43,50)(H,44,52)(H,45,54)(H,46,48)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025536
PNG
((1-{1-Benzyl-2-methyl-3-[1-(3-methyl-butylcarbamoy...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](C)C(Cc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C30H50N4O5/c1-19(2)15-16-31-27(36)22(6)32-25(35)17-21(5)24(18-23-13-11-10-12-14-23)33-28(37)26(20(3)4)34-29(38)39-30(7,8)9/h10-14,19-22,24,26H,15-18H2,1-9H3,(H,31,36)(H,32,35)(H,33,37)(H,34,38)/t21-,22?,24?,26-/m1/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025521
PNG
(2-(2-{3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-b...)
Show SMILES COC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C31H50N4O7/c1-18(2)14-23(33-30(40)28(20(5)6)35-26(37)15-19(3)4)25(36)17-27(38)32-21(7)29(39)34-24(31(41)42-8)16-22-12-10-9-11-13-22/h9-13,18-21,23-25,28,36H,14-17H2,1-8H3,(H,32,38)(H,33,40)(H,34,39)(H,35,37)/t21?,23?,24?,25-,28+/m0/s1
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025518
PNG
(6-Methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyr...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)CC(=O)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H57N5O6/c1-17(2)12-13-32-29(40)22(11)33-26(39)16-24(37)23(14-18(3)4)34-30(41)28(21(9)10)36-31(42)27(20(7)8)35-25(38)15-19(5)6/h17-23,27-28H,12-16H2,1-11H3,(H,32,40)(H,33,39)(H,34,41)(H,35,38)(H,36,42)/t22?,23?,27-,28?/m1/s1
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025512
PNG
(CHEMBL84744 | {2-Methyl-1-[2-methyl-1-(3-methyl-1-...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](C)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H61N5O6/c1-18(2)14-15-33-28(39)23(10)34-25(38)17-22(9)24(16-19(3)4)35-29(40)26(20(5)6)36-30(41)27(21(7)8)37-31(42)43-32(11,12)13/h18-24,26-27H,14-17H2,1-13H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41)(H,37,42)/t22-,23?,24?,26?,27+/m0/s1
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31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025534
PNG
(2-(2-{3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-b...)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C28H52N4O7/c1-15(2)11-20(30-27(37)25(18(7)8)32-23(34)13-17(5)6)22(33)14-24(35)29-19(9)26(36)31-21(12-16(3)4)28(38)39-10/h15-22,25,33H,11-14H2,1-10H3,(H,29,35)(H,30,37)(H,31,36)(H,32,34)/t19?,20?,21?,22-,25+/m0/s1
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43n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025538
PNG
(3-Methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyr...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](C)C(Cc1ccccc1)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C35H59N5O5/c1-21(2)16-17-36-33(43)26(10)37-30(42)19-25(9)28(20-27-14-12-11-13-15-27)38-34(44)32(24(7)8)40-35(45)31(23(5)6)39-29(41)18-22(3)4/h11-15,21-26,28,31-32H,16-20H2,1-10H3,(H,36,43)(H,37,42)(H,38,44)(H,39,41)(H,40,45)/t25-,26?,28?,31+,32?/m0/s1
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47n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025510
PNG
(2-{2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phe...)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C49H75N7O11/c1-28(2)23-35(53-43(60)32(8)50-42(59)31(7)51-44(61)37(26-34-21-17-14-18-22-34)55-48(65)67-49(9,10)11)39(57)27-40(58)52-36(25-33-19-15-13-16-20-33)45(62)56-41(30(5)6)46(63)54-38(24-29(3)4)47(64)66-12/h13-22,28-32,35-39,41,57H,23-27H2,1-12H3,(H,50,59)(H,51,61)(H,52,58)(H,53,60)(H,54,63)(H,55,65)(H,56,62)
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025535
PNG
(CHEMBL314272 | [1-(1-{1-Benzyl-2-methyl-3-[1-(3-me...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](C)C(Cc1ccccc1)NC(=O)C(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C35H59N5O6/c1-21(2)17-18-36-31(42)25(8)37-28(41)19-24(7)27(20-26-15-13-12-14-16-26)38-32(43)29(22(3)4)39-33(44)30(23(5)6)40-34(45)46-35(9,10)11/h12-16,21-25,27,29-30H,17-20H2,1-11H3,(H,36,42)(H,37,41)(H,38,43)(H,39,44)(H,40,45)/t24-,25?,27?,29?,30-/m1/s1
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90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025523
PNG
(CHEMBL84497 | [1-(1-{1-Benzyl-2-hydroxy-3-[1-(3-me...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](O)C(Cc1ccccc1)NC(=O)C(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C34H57N5O7/c1-20(2)16-17-35-30(42)23(7)36-27(41)19-26(40)25(18-24-14-12-11-13-15-24)37-31(43)28(21(3)4)38-32(44)29(22(5)6)39-33(45)46-34(8,9)10/h11-15,20-23,25-26,28-29,40H,16-19H2,1-10H3,(H,35,42)(H,36,41)(H,37,43)(H,38,44)(H,39,45)/t23?,25?,26-,28?,29-/m1/s1
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95n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025542
PNG
(3-Hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](O)C(Cc1ccccc1)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C34H57N5O6/c1-20(2)15-16-35-32(43)24(9)36-29(42)19-27(40)26(18-25-13-11-10-12-14-25)37-33(44)31(23(7)8)39-34(45)30(22(5)6)38-28(41)17-21(3)4/h10-14,20-24,26-27,30-31,40H,15-19H2,1-9H3,(H,35,43)(H,36,42)(H,37,44)(H,38,41)(H,39,45)/t24?,26?,27-,30-,31?/m1/s1
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025533
PNG
(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](O)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H59N5O6/c1-17(2)12-13-32-29(40)22(11)33-26(39)16-24(37)23(14-18(3)4)34-30(41)28(21(9)10)36-31(42)27(20(7)8)35-25(38)15-19(5)6/h17-24,27-28,37H,12-16H2,1-11H3,(H,32,40)(H,33,39)(H,34,41)(H,35,38)(H,36,42)/t22?,23?,24-,27-,28?/m1/s1
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>100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025526
PNG
((1-{1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-butylcarbamo...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C36H60N6O8/c1-21(2)16-17-37-31(45)23(5)38-30(44)20-29(43)27(18-22(3)4)41-33(47)25(7)39-32(46)24(6)40-34(48)28(19-26-14-12-11-13-15-26)42-35(49)50-36(8,9)10/h11-15,21-25,27-29,43H,16-20H2,1-10H3,(H,37,45)(H,38,44)(H,39,46)(H,40,48)(H,41,47)(H,42,49)
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50367299
PNG
(CHEMBL554630)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C([S+](C)C)C(=O)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C33H61N5O6S/c1-18(2)14-15-34-30(41)23(11)35-33(44)29(45(12)13)28(40)24(16-19(3)4)36-31(42)27(22(9)10)38-32(43)26(21(7)8)37-25(39)17-20(5)6/h18-24,26-27,29H,14-17H2,1-13H3,(H4-,34,35,36,37,38,39,41,42,43,44)/p+1/t23?,24?,26-,27?,29?/m1/s1
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107n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025519
PNG
(4-[2-(2,2-Dimethyl-propionylamino)-3-methyl-butyry...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O5/c1-15(2)11-12-27-23(33)18(7)28-21(32)14-20(31)19(13-16(3)4)29-24(34)22(17(5)6)30-25(35)26(8,9)10/h15-20,22,31H,11-14H2,1-10H3,(H,27,33)(H,28,32)(H,29,34)(H,30,35)/t18?,19?,20-,22+/m0/s1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025525
PNG
(4-[2-(2-Ethyl-butyrylamino)-3-methyl-butyrylamino]...)
Show SMILES CCC(CC)C(=O)N[C@H](C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)NC(C)C(=O)NCCC(C)C
Show InChI InChI=1S/C27H52N4O5/c1-10-20(11-2)26(35)31-24(18(7)8)27(36)30-21(14-17(5)6)22(32)15-23(33)29-19(9)25(34)28-13-12-16(3)4/h16-22,24,32H,10-15H2,1-9H3,(H,28,34)(H,29,33)(H,30,36)(H,31,35)/t19?,21?,22-,24+/m0/s1
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025509
PNG
(2-(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3...)
Show SMILES COC(=O)C(C)NC(=O)C[C@@H](O)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C27H50N4O7/c1-14(2)11-19(20(32)13-22(34)28-18(9)27(37)38-10)29-25(35)24(17(7)8)31-26(36)23(16(5)6)30-21(33)12-15(3)4/h14-20,23-24,32H,11-13H2,1-10H3,(H,28,34)(H,29,35)(H,30,33)(H,31,36)/t18?,19?,20-,23-,24?/m1/s1
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025508
PNG
(3,6-Dimethyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-b...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](C)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H61N5O5/c1-18(2)13-14-33-30(40)24(12)34-27(39)17-23(11)25(15-19(3)4)35-31(41)29(22(9)10)37-32(42)28(21(7)8)36-26(38)16-20(5)6/h18-25,28-29H,13-17H2,1-12H3,(H,33,40)(H,34,39)(H,35,41)(H,36,38)(H,37,42)/t23-,24?,25?,28-,29?/m1/s1
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214n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025517
PNG
(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...)
Show SMILES CCOC(=O)C[C@@H](O)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C25H47N3O6/c1-10-34-21(31)13-19(29)18(11-14(2)3)26-24(32)23(17(8)9)28-25(33)22(16(6)7)27-20(30)12-15(4)5/h14-19,22-23,29H,10-13H2,1-9H3,(H,26,32)(H,27,30)(H,28,33)/t18?,19-,22-,23?/m1/s1
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220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025532
PNG
(3-Hydroxy-6-methyl-4-[3-methyl-2-(2-methyl-butyryl...)
Show SMILES CCC(C)C(=O)N[C@H](C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)NC(C)C(=O)NCCC(C)C
Show InChI InChI=1S/C26H50N4O5/c1-10-18(8)24(33)30-23(17(6)7)26(35)29-20(13-16(4)5)21(31)14-22(32)28-19(9)25(34)27-12-11-15(2)3/h15-21,23,31H,10-14H2,1-9H3,(H,27,34)(H,28,32)(H,29,35)(H,30,33)/t18?,19?,20?,21-,23+/m0/s1
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025529
PNG
((1-{1-Benzyl-2-hydroxy-3-[1-(3-methyl-butylcarbamo...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](O)C(Cc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H48N4O6/c1-18(2)14-15-30-26(36)20(5)31-24(35)17-23(34)22(16-21-12-10-9-11-13-21)32-27(37)25(19(3)4)33-28(38)39-29(6,7)8/h9-13,18-20,22-23,25,34H,14-17H2,1-8H3,(H,30,36)(H,31,35)(H,32,37)(H,33,38)/t20?,22?,23-,25+/m0/s1
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370n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025537
PNG
(3,6-Dimethyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-b...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](C)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H61N5O5/c1-18(2)13-14-33-30(40)24(12)34-27(39)17-23(11)25(15-19(3)4)35-31(41)29(22(9)10)37-32(42)28(21(7)8)36-26(38)16-20(5)6/h18-25,28-29H,13-17H2,1-12H3,(H,33,40)(H,34,39)(H,35,41)(H,36,38)(H,37,42)/t23-,24?,25?,28+,29?/m0/s1
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400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025511
PNG
(CHEMBL86225 | {1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-b...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](O)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H59N5O7/c1-17(2)13-14-32-27(39)21(9)33-24(38)16-23(37)22(15-18(3)4)34-28(40)25(19(5)6)35-29(41)26(20(7)8)36-30(42)43-31(10,11)12/h17-23,25-26,37H,13-16H2,1-12H3,(H,32,39)(H,33,38)(H,34,40)(H,35,41)(H,36,42)/t21?,22?,23-,25?,26-/m1/s1
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445n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025511
PNG
(CHEMBL86225 | {1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-b...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](O)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H59N5O7/c1-17(2)13-14-32-27(39)21(9)33-24(38)16-23(37)22(15-18(3)4)34-28(40)25(19(5)6)35-29(41)26(20(7)8)36-30(42)43-31(10,11)12/h17-23,25-26,37H,13-16H2,1-12H3,(H,32,39)(H,33,38)(H,34,40)(H,35,41)(H,36,42)/t21?,22?,23-,25?,26-/m1/s1
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445n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025506
PNG
(3-Hydroxy-4-(2-isobutyrylamino-3-methyl-butyrylami...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)C(C)C)C(C)C
Show InChI InChI=1S/C25H48N4O5/c1-14(2)10-11-26-24(33)18(9)27-21(31)13-20(30)19(12-15(3)4)28-25(34)22(16(5)6)29-23(32)17(7)8/h14-20,22,30H,10-13H2,1-9H3,(H,26,33)(H,27,31)(H,28,34)(H,29,32)/t18?,19?,20-,22+/m0/s1
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590n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025530
PNG
(CHEMBL419481 | [1-(1-{1-Hydroxy-2-[1-(3-methyl-but...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)OC(C)C)C(C)C
Show InChI InChI=1S/C25H48N4O6/c1-14(2)10-11-26-23(32)18(9)27-21(31)13-20(30)19(12-15(3)4)28-24(33)22(16(5)6)29-25(34)35-17(7)8/h14-20,22,30H,10-13H2,1-9H3,(H,26,32)(H,27,31)(H,28,33)(H,29,34)/t18?,19?,20-,22+/m0/s1
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620n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025512
PNG
(CHEMBL84744 | {2-Methyl-1-[2-methyl-1-(3-methyl-1-...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](C)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H61N5O6/c1-18(2)14-15-33-28(39)23(10)34-25(38)17-22(9)24(16-19(3)4)35-29(40)26(20(5)6)36-30(41)27(21(7)8)37-31(42)43-32(11,12)13/h18-24,26-27H,14-17H2,1-13H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41)(H,37,42)/t22-,23?,24?,26?,27+/m0/s1
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620n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025507
PNG
(3-Methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyr...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](C)C(Cc1ccccc1)NC(=O)C(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C35H59N5O5/c1-21(2)16-17-36-33(43)26(10)37-30(42)19-25(9)28(20-27-14-12-11-13-15-27)38-34(44)32(24(7)8)40-35(45)31(23(5)6)39-29(41)18-22(3)4/h11-15,21-26,28,31-32H,16-20H2,1-10H3,(H,36,43)(H,37,42)(H,38,44)(H,39,41)(H,40,45)/t25-,26?,28?,31-,32?/m1/s1
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930n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025524
PNG
(3-Hydroxy-4-[3-methyl-2-(3-methyl-butyrylamino)-bu...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C29H48N4O5/c1-18(2)13-14-30-28(37)21(7)31-26(36)17-24(34)23(16-22-11-9-8-10-12-22)32-29(38)27(20(5)6)33-25(35)15-19(3)4/h8-12,18-21,23-24,27,34H,13-17H2,1-7H3,(H,30,37)(H,31,36)(H,32,38)(H,33,35)/t21-,23+,24-,27+/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50452260
PNG
(CHEMBL3084308)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C29H48N4O5/c1-18(2)13-14-30-28(37)21(7)31-26(36)17-24(34)23(16-22-11-9-8-10-12-22)32-29(38)27(20(5)6)33-25(35)15-19(3)4/h8-12,18-21,23-24,27,34H,13-17H2,1-7H3,(H,30,37)(H,31,36)(H,32,38)(H,33,35)/t21-,23-,24-,27+/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025520
PNG
(6-Methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-but...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)CCC(CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O4/c1-16(2)12-13-27-25(33)20(9)28-22(31)11-10-21(14-17(3)4)29-26(34)24(19(7)8)30-23(32)15-18(5)6/h16-21,24H,10-15H2,1-9H3,(H,27,33)(H,28,31)(H,29,34)(H,30,32)/t20?,21?,24-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025527
PNG
(2-{3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-buty...)
Show SMILES COC(=O)C(C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C22H41N3O6/c1-12(2)9-16(17(26)11-19(28)23-15(7)22(30)31-8)24-21(29)20(14(5)6)25-18(27)10-13(3)4/h12-17,20,26H,9-11H2,1-8H3,(H,23,28)(H,24,29)(H,25,27)/t15?,16?,17-,20+/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025539
PNG
(CHEMBL316414 | {2-Methyl-1-[2-methyl-1-(3-methyl-1...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](C)C(CC(C)C)NC(=O)C(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H61N5O6/c1-18(2)14-15-33-28(39)23(10)34-25(38)17-22(9)24(16-19(3)4)35-29(40)26(20(5)6)36-30(41)27(21(7)8)37-31(42)43-32(11,12)13/h18-24,26-27H,14-17H2,1-13H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41)(H,37,42)/t22-,23?,24?,26?,27-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025540
PNG
(3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O5/c1-15(2)10-11-27-25(34)19(9)28-23(33)14-21(31)20(12-16(3)4)29-26(35)24(18(7)8)30-22(32)13-17(5)6/h15-21,24,31H,10-14H2,1-9H3,(H,27,34)(H,28,33)(H,29,35)(H,30,32)/t19?,20?,21-,24-/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025516
PNG
(CHEMBL81941 | [1-(1-{1-Hydroxy-2-[1-(3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O6/c1-15(2)11-12-27-23(33)18(7)28-21(32)14-20(31)19(13-16(3)4)29-24(34)22(17(5)6)30-25(35)36-26(8,9)10/h15-20,22,31H,11-14H2,1-10H3,(H,27,33)(H,28,32)(H,29,34)(H,30,35)/t18?,19?,20-,22-/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50025529
PNG
((1-{1-Benzyl-2-hydroxy-3-[1-(3-methyl-butylcarbamo...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](O)C(Cc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H48N4O6/c1-18(2)14-15-30-26(36)20(5)31-24(35)17-23(34)22(16-21-12-10-9-11-13-21)32-27(37)25(19(3)4)33-28(38)39-29(6,7)8/h9-13,18-20,22-23,25,34H,14-17H2,1-8H3,(H,30,36)(H,31,35)(H,32,37)(H,33,38)/t20?,22?,23-,25+/m0/s1
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4.86E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.


J Med Chem 29: 2519-24 (1987)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022521
PNG
(Boc-Phe-His-Cha-CH2-S-Leu-NHCO(CH2)2C6H5 | CHEMBL3...)
Show SMILES CC(C)CC(NC(=O)CCc1ccccc1)SCC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H64N6O6S/c1-30(2)23-40(50-39(52)22-21-31-15-9-6-10-16-31)57-28-38(51)35(24-32-17-11-7-12-18-32)47-42(54)37(26-34-27-45-29-46-34)48-41(53)36(25-33-19-13-8-14-20-33)49-43(55)56-44(3,4)5/h6,8-10,13-16,19-20,27,29-30,32,35-38,40,51H,7,11-12,17-18,21-26,28H2,1-5H3,(H,45,46)(H,47,54)(H,48,53)(H,49,55)(H,50,52)/t35?,36-,37-,38?,40?/m0/s1
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n/an/a>1n/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.1


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022510
PNG
(Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.2


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022510
PNG
(Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.1


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022508
PNG
(Boc-Pro-Phe-NMe-His-Leu-OHCH2-Val-Ile-Amp | CHEMBL...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37?,38?,39-,40-,41-,42?,43-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.2


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022518
PNG
(CHEMBL407670 | Pro-His-Pro-Phe-His-Leu-CH2NH-Val-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H91N17O10/c1-7-37(6)51(58(84)74-47(26-40-29-63-33-68-40)55(81)71-44(60(86)87)17-11-12-20-61)76-57(83)50(36(4)5)66-31-42(23-35(2)3)70-53(79)46(25-39-28-62-32-67-39)72-54(80)45(24-38-15-9-8-10-16-38)73-56(82)49-19-14-22-77(49)59(85)48(27-41-30-64-34-69-41)75-52(78)43-18-13-21-65-43/h8-10,15-16,28-30,32-37,42-51,65-66H,7,11-14,17-27,31,61H2,1-6H3,(H,62,67)(H,63,68)(H,64,69)(H,70,79)(H,71,81)(H,72,80)(H,73,82)(H,74,84)(H,75,78)(H,76,83)(H,86,87)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.3(no inhibition)


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of Cathepsin D from bovine


J Med Chem 33: 2707-14 (1990)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50005436
PNG
(4-{2-Allylsulfanyl-2-[2-(morpholine-4-sulfonylamin...)
Show SMILES O[C@@H](CC(=O)NCCN1CCOCC1)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)SCC=C
Show InChI InChI=1S/C35H56N6O8S2/c1-2-23-50-35(38-33(44)30(25-28-11-7-4-8-12-28)39-51(46,47)41-17-21-49-22-18-41)34(45)37-29(24-27-9-5-3-6-10-27)31(42)26-32(43)36-13-14-40-15-19-48-20-16-40/h2,4,7-8,11-12,27,29-31,35,39,42H,1,3,5-6,9-10,13-26H2,(H,36,43)(H,37,45)(H,38,44)/t29-,30-,31-,35?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D


J Med Chem 35: 1032-42 (1992)

More data for this
Ligand-Target Pair
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