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Compile Data Set for Download or QSAR

Found 93 hits Enz. Inhib. hit(s) with Target = 'Cathepsin E'   
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 E


(Homo sapiens (Human))
BDBM50382733
PNG
(CHEMBL2024289)
Show SMILES CC[C@@H](C)[C@@H](N(C)C)C(=O)O[C@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC
Show InChI InChI=1S/C56H86N8O14/c1-13-35(8)48(62(9)10)56(76)78-49(34(6)7)53(73)59-40(27-37-21-23-38(66)24-22-37)50(70)60-41(31-65)51(71)58-39(26-32(2)3)44(67)29-45(68)61-47(33(4)5)52(72)57-30-46(69)63(11)43(28-36-18-15-14-16-19-36)54(74)64-25-17-20-42(64)55(75)77-12/h14-16,18-19,21-24,32-35,39-44,47-49,65-67H,13,17,20,25-31H2,1-12H3,(H,57,72)(H,58,71)(H,59,73)(H,60,70)(H,61,68)/t35-,39+,40+,41+,42+,43-,44-,47+,48-,49-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50305527
PNG
((4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phe...)
Show SMILES COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3
Show InChI InChI=1S/C35H45N3O4/c1-24(2)27-9-7-10-29(20-27)35(12-13-35)37-22-33(39)32-19-25-8-6-11-31(18-25)42-15-5-4-14-36-30-17-26(23-41-3)16-28(21-30)34(40)38-32/h6-11,16-18,20-21,24,32-33,36-37,39H,4-5,12-15,19,22-23H2,1-3H3,(H,38,40)/t32-,33+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for BioMedicalResearch

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
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 0.446n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400214
PNG
(CHEMBL2181022)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C55H76N8O12/c1-34(2)29-41(49(67)57-36(5)51(69)62(7)44(31-38-21-14-10-15-22-38)52(70)63-28-18-25-43(63)54(72)74-8)58-47(66)32-45(64)40(30-37-19-12-9-13-20-37)59-50(68)42(26-27-46(56)65)61(6)53(71)48(35(3)4)60-55(73)75-33-39-23-16-11-17-24-39/h9-17,19-24,34-36,40-45,48,64H,18,25-33H2,1-8H3,(H2,56,65)(H,57,67)(H,58,66)(H,59,68)(H,60,73)/t36-,40-,41-,42-,43-,44+,45-,48-/m0/s1
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n/an/a 0.724n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50302107
PNG
(CHEMBL567893 | Grassystatin A)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E using MCA-KPILFFRLK(Dnp)-D-R-NH2 as substrate incubated for 10 to 15 mins prior to substrate addition measured every 5 min ...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50302107
PNG
(CHEMBL567893 | Grassystatin A)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400213
PNG
(CHEMBL2181024)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C52H78N8O12/c1-31(2)27-37(45(64)54-33(5)47(66)59(10)40(29-35-21-16-13-17-22-35)48(67)60-26-18-23-39(60)50(69)71-11)55-43(63)30-41(61)36(28-34-19-14-12-15-20-34)56-46(65)38(24-25-42(53)62)58(9)49(68)44(32(3)4)57-51(70)72-52(6,7)8/h12-17,19-22,31-33,36-41,44,61H,18,23-30H2,1-11H3,(H2,53,62)(H,54,64)(H,55,63)(H,56,65)(H,57,70)/t33-,36-,37-,38-,39-,40+,41-,44-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50305537
PNG
((S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyc...)
Show SMILES CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(C)n3)C(=O)N1)c2
Show InChI InChI=1S/C33H41N3O4/c1-22(2)25-9-7-10-27(19-25)33(12-13-33)34-21-30(37)29-18-24-8-6-11-28(17-24)39-14-4-5-15-40-31-20-26(32(38)36-29)16-23(3)35-31/h6-11,16-17,19-20,22,29-30,34,37H,4-5,12-15,18,21H2,1-3H3,(H,36,38)/t29-,30+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedicalResearch

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400215
PNG
(CHEMBL2181021)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C
Show InChI InChI=1S/C49H72N8O12/c1-28(2)24-35(45(64)51-30(5)43(62)54-36(26-33-18-13-10-14-19-33)47(66)57-23-15-20-38(57)49(68)69-8)52-41(61)27-39(59)34(25-32-16-11-9-12-17-32)53-46(65)37(21-22-40(50)60)56(7)48(67)42(29(3)4)55-44(63)31(6)58/h9-14,16-19,28-31,34-39,42,58-59H,15,20-27H2,1-8H3,(H2,50,60)(H,51,64)(H,52,61)(H,53,65)(H,54,62)(H,55,63)/t30-,31-,34-,35-,36+,37-,38-,39-,42-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50305536
PNG
((S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyc...)
Show SMILES COCc1cc2cc(OCCCCOc3cccc(C[C@H](NC2=O)[C@H](O)CNC2(CC2)c2cccc(c2)C(C)C)c3)n1
Show InChI InChI=1S/C34H43N3O5/c1-23(2)25-9-7-10-27(18-25)34(12-13-34)35-21-31(38)30-17-24-8-6-11-29(16-24)41-14-4-5-15-42-32-20-26(33(39)37-30)19-28(36-32)22-40-3/h6-11,16,18-20,23,30-31,35,38H,4-5,12-15,17,21-22H2,1-3H3,(H,37,39)/t30-,31+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedicalResearch

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
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 5n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E in human MCF7 cells by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
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<7.5n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50305533
PNG
((S)-4-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-e...)
Show SMILES CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCOc4cc(cc(C)n4)C(=O)N2)c3)c1
Show InChI InChI=1S/C31H39N3O4/c1-21(2)25-10-6-9-24(15-25)19-32-20-29(35)28-17-23-8-7-11-27(16-23)37-12-4-5-13-38-30-18-26(31(36)34-28)14-22(3)33-30/h6-11,14-16,18,21,28-29,32,35H,4-5,12-13,17,19-20H2,1-3H3,(H,34,36)/t28-,29+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedicalResearch

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400218
PNG
(CHEMBL2181018)
Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C44H65N7O11/c1-25(2)21-32(40(57)46-27(5)42(59)51(8)34(44(61)62)23-30-17-13-10-14-18-30)47-37(55)24-35(53)31(22-29-15-11-9-12-16-29)48-41(58)33(19-20-36(45)54)50(7)43(60)38(26(3)4)49-39(56)28(6)52/h9-18,25-28,31-35,38,52-53H,19-24H2,1-8H3,(H2,45,54)(H,46,57)(H,47,55)(H,48,58)(H,49,56)(H,61,62)/t27-,28-,31-,32-,33-,34+,35-,38-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400217
PNG
(CHEMBL2181019)
Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C51H72N8O10/c1-31(2)26-39(47(65)54-33(5)50(68)59(8)41(28-36-20-14-10-15-21-36)48(66)53-30-37-22-16-11-17-23-37)55-44(63)29-42(61)38(27-35-18-12-9-13-19-35)56-49(67)40(24-25-43(52)62)58(7)51(69)45(32(3)4)57-46(64)34(6)60/h9-23,31-34,38-42,45,60-61H,24-30H2,1-8H3,(H2,52,62)(H,53,66)(H,54,65)(H,55,63)(H,56,67)(H,57,64)/t33-,34-,38-,39-,40-,41+,42-,45-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400207
PNG
(CHEMBL2181011)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C54H69N7O11S/c1-34(2)27-44(51(66)56-36(4)52(67)59(5)46(29-38-21-14-10-15-22-38)53(68)61-26-18-25-45(61)54(69)72-7)57-48(63)33-47(62)43(28-37-19-12-9-13-20-37)58-50(65)41-30-40(31-42(32-41)60(6)73(8,70)71)49(64)55-35(3)39-23-16-11-17-24-39/h9-17,19-24,30-32,34-36,43-47,62H,18,25-29,33H2,1-8H3,(H,55,64)(H,56,66)(H,57,63)(H,58,65)/t35-,36+,43+,44+,45+,46-,47+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400222
PNG
(TASIAMIDE B)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C
Show InChI InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39-,40-,43-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50302108
PNG
(CHEMBL569445 | Grassystatin C)
Show SMILES CC[C@H](C)[C@@H](O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC
Show InChI InChI=1S/C50H82N8O12/c1-12-31(7)43(46(65)52-28-42(62)56(9)38(26-33-18-15-14-16-19-33)49(68)58-23-17-20-37(58)50(69)70-11)55-41(61)27-39(59)34(24-29(3)4)53-45(64)36(21-22-40(51)60)57(10)48(67)35(25-30(5)6)54-47(66)44(63)32(8)13-2/h14-16,18-19,29-32,34-39,43-44,59,63H,12-13,17,20-28H2,1-11H3,(H2,51,60)(H,52,65)(H,53,64)(H,54,66)(H,55,61)/t31-,32-,34-,35-,36-,37-,38+,39-,43-,44+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400216
PNG
(CHEMBL2181020)
Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C47H72N8O10/c1-27(2)23-35(43(61)50-30(7)46(64)55(10)37(45(63)49-29(5)6)25-33-19-15-12-16-20-33)51-40(59)26-38(57)34(24-32-17-13-11-14-18-32)52-44(62)36(21-22-39(48)58)54(9)47(65)41(28(3)4)53-42(60)31(8)56/h11-20,27-31,34-38,41,56-57H,21-26H2,1-10H3,(H2,48,58)(H,49,63)(H,50,61)(H,51,59)(H,52,62)(H,53,60)/t30-,31-,34-,35-,36-,37+,38-,41-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400209
PNG
(CHEMBL2181023)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](N)C(C)C
Show InChI InChI=1S/C47H70N8O10/c1-28(2)24-34(42(59)50-30(5)44(61)54(7)37(26-32-18-13-10-14-19-32)45(62)55-23-15-20-36(55)47(64)65-8)51-40(58)27-38(56)33(25-31-16-11-9-12-17-31)52-43(60)35(21-22-39(48)57)53(6)46(63)41(49)29(3)4/h9-14,16-19,28-30,33-38,41,56H,15,20-27,49H2,1-8H3,(H2,48,57)(H,50,59)(H,51,58)(H,52,60)/t30-,33-,34-,35-,36-,37+,38-,41-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400221
PNG
(CHEMBL2181015)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C
Show InChI InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39+,40-,43-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400211
PNG
(CHEMBL2181013)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O
Show InChI InChI=1S/C43H61N7O10/c1-26(2)22-33(47-38(54)25-36(52)32(23-29-14-9-7-10-15-29)48-39(55)31(46-28(4)51)19-20-37(44)53)40(56)45-27(3)41(57)49(5)35(24-30-16-11-8-12-17-30)42(58)50-21-13-18-34(50)43(59)60-6/h7-12,14-17,26-27,31-36,52H,13,18-25H2,1-6H3,(H2,44,53)(H,45,56)(H,46,51)(H,47,54)(H,48,55)/t27-,31-,32-,33-,34-,35+,36-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234576
PNG
(US9353089, Table 8, Compound 1)
Show SMILES CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1
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n/an/a 99n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50011706
PNG
(CHEMBL353944 | {1-[1-[2-(1-Butyl-5,5-dimethyl-2-ox...)
Show SMILES CCCCN1C(=O)[C@@H](CC1(C)C)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C39H60N6O6/c1-7-8-19-45-36(49)29(23-39(45,5)6)33(46)30(20-26-15-11-9-12-16-26)42-35(48)32(22-28-24-40-25-41-28)43-34(47)31(21-27-17-13-10-14-18-27)44-37(50)51-38(2,3)4/h10,13-14,17-18,24-26,29-33,46H,7-9,11-12,15-16,19-23H2,1-6H3,(H,40,41)(H,42,48)(H,43,47)(H,44,50)/t29-,30-,31-,32-,33-/m0/s1
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n/an/a 115n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin E


J Med Chem 34: 887-900 (1991)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50011702
PNG
(CHEMBL169870 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CN1[C@H](C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)C=C
Show InChI InChI=1S/C36H52N6O6/c1-6-26-20-27(34(46)42(26)5)31(43)28(17-23-13-9-7-10-14-23)39-33(45)30(19-25-21-37-22-38-25)40-32(44)29(18-24-15-11-8-12-16-24)41-35(47)48-36(2,3)4/h6,8,11-12,15-16,21-23,26-31,43H,1,7,9-10,13-14,17-20H2,2-5H3,(H,37,38)(H,39,45)(H,40,44)(H,41,47)/t26-,27-,28-,29-,30-,31-/m0/s1
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n/an/a 165n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin E


J Med Chem 34: 887-900 (1991)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50011705
PNG
(CHEMBL173204 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CN1CCCCC([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C36H54N6O6/c1-36(2,3)48-35(47)41-29(20-25-15-9-6-10-16-25)32(44)40-30(21-26-22-37-23-38-26)33(45)39-28(19-24-13-7-5-8-14-24)31(43)27-17-11-12-18-42(4)34(27)46/h6,9-10,15-16,22-24,27-31,43H,5,7-8,11-14,17-21H2,1-4H3,(H,37,38)(H,39,45)(H,40,44)(H,41,47)/t27?,28-,29-,30-,31+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin E


J Med Chem 34: 887-900 (1991)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
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 181n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400208
PNG
(CHEMBL2181010)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C53H67N7O11S/c1-33(2)26-43(50(65)55-35(4)51(66)59(5)45(28-37-20-13-9-14-21-37)52(67)60-25-17-24-44(60)53(68)71-6)56-47(62)32-46(61)42(27-36-18-11-8-12-19-36)57-49(64)40-29-39(30-41(31-40)58-72(7,69)70)48(63)54-34(3)38-22-15-10-16-23-38/h8-16,18-23,29-31,33-35,42-46,58,61H,17,24-28,32H2,1-7H3,(H,54,63)(H,55,65)(H,56,62)(H,57,64)/t34-,35+,42+,43+,44+,45-,46+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234527
PNG
(US9353089, 206)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
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n/an/a 233n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50011696
PNG
(CHEMBL170772 | {1-[1-[1-Cyclohexylmethyl-2-(1-cycl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCN(C2CCCCC2)C1=O
Show InChI InChI=1S/C39H58N6O6/c1-39(2,3)51-38(50)44-32(22-27-15-9-5-10-16-27)35(47)43-33(23-28-24-40-25-41-28)36(48)42-31(21-26-13-7-4-8-14-26)34(46)30-19-20-45(37(30)49)29-17-11-6-12-18-29/h5,9-10,15-16,24-26,29-34,46H,4,6-8,11-14,17-23H2,1-3H3,(H,40,41)(H,42,48)(H,43,47)(H,44,50)/t30-,31-,32-,33-,34-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin E


J Med Chem 34: 887-900 (1991)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/s2
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n/an/a 320n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50302109
PNG
(CHEMBL568553 | Grassystatin B)
Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC
Show InChI InChI=1S/C59H97N9O16/c1-17-38(55(77)67(15)43(28-37-22-19-18-20-23-37)56(78)68-25-21-24-42(68)57(79)82-16)61-53(75)47(36(12)69)65-46(72)30-44(70)39(26-31(2)3)62-52(74)41(29-45(60)71)63-51(73)40(27-32(4)5)64-54(76)49(34(8)9)83-59(81)50(35(10)11)84-58(80)48(33(6)7)66(13)14/h18-20,22-23,31-36,38-44,47-50,69-70H,17,21,24-30H2,1-16H3,(H2,60,71)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,65,72)/t36-,38+,39+,40+,41+,42+,43-,44+,47+,48+,49-,50+/m1/s1
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n/an/a 354n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50011698
PNG
(CHEMBL354505 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CN1[C@@H](C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)C=C
Show InChI InChI=1S/C36H52N6O6/c1-6-26-20-27(34(46)42(26)5)31(43)28(17-23-13-9-7-10-14-23)39-33(45)30(19-25-21-37-22-38-25)40-32(44)29(18-24-15-11-8-12-16-24)41-35(47)48-36(2,3)4/h6,8,11-12,15-16,21-23,26-31,43H,1,7,9-10,13-14,17-20H2,2-5H3,(H,37,38)(H,39,45)(H,40,44)(H,41,47)/t26-,27+,28+,29+,30+,31+/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin E


J Med Chem 34: 887-900 (1991)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234520
PNG
(US9353089, 176)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1
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n/an/a 511n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234541
PNG
(US9353089, 275)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1
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n/an/a 841n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50302107
PNG
(CHEMBL567893 | Grassystatin A)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1
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n/an/a 886n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50031613
PNG
(CHEMBL3359763)
Show SMILES CC1(COC1)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F
Show InChI InChI=1/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
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n/an/a 1.19E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400219
PNG
(CHEMBL2181017)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C
Show InChI InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32+,35+,36+,37+,38+,39-,40+,43+/m1/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400210
PNG
(CHEMBL2181014)
Show SMILES COC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(C)=O
Show InChI InChI=1S/C33H46N4O7/c1-21(2)17-27(36-30(40)20-29(39)26(35-23(4)38)18-24-13-9-7-10-14-24)31(41)34-22(3)32(42)37(5)28(33(43)44-6)19-25-15-11-8-12-16-25/h7-16,21-22,26-29,39H,17-20H2,1-6H3,(H,34,41)(H,35,38)(H,36,40)/t22-,26-,27-,28+,29-/m0/s1
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n/an/a 1.52E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400220
PNG
(CHEMBL2181016)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C
Show InChI InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32+,35+,36+,37+,38+,39+,40+,43+/m1/s1
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n/an/a 1.71E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50312665
PNG
(CHEMBL1088572 | Sodium 2-(2-Fluorophenyl)-6,7-meth...)
Show SMILES OP([O-])(=O)OC1CC(=Nc2cc3OCOc3cc12)c1ccccc1F
Show InChI InChI=1S/C16H13FNO6P/c17-11-4-2-1-3-9(11)12-6-14(24-25(19,20)21)10-5-15-16(23-8-22-15)7-13(10)18-12/h1-5,7,14H,6,8H2,(H2,19,20,21)/p-1
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n/an/a 1.71E+3n/an/an/an/an/an/a



China Medical University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin E by enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234501
PNG
(US9353089, 128)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM201
PNG
((2S)-N-[(2S,3S)-4-[(2S)-N'-(cyclohexylmethyl)-2-ac...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(C)=O)C(C)C
Show InChI InChI=1S/C31H51N5O5/c1-20(2)28(32-22(5)37)30(40)34-26(17-24-13-9-7-10-14-24)27(39)19-36(18-25-15-11-8-12-16-25)35-31(41)29(21(3)4)33-23(6)38/h7,9-10,13-14,20-21,25-29,39H,8,11-12,15-19H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)(H,35,41)/t26-,27-,28-,29-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against human cathepsin E


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234517
PNG
(US9353089, 171)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
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n/an/a 4.01E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400212
PNG
(CHEMBL2181012)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(C)=O
Show InChI InChI=1S/C38H53N5O8/c1-24(2)20-30(41-34(46)23-33(45)29(40-26(4)44)21-27-14-9-7-10-15-27)35(47)39-25(3)36(48)42(5)32(22-28-16-11-8-12-17-28)37(49)43-19-13-18-31(43)38(50)51-6/h7-12,14-17,24-25,29-33,45H,13,18-23H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,29-,30-,31-,32+,33-/m0/s1
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n/an/a 4.95E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50302107
PNG
(CHEMBL567893 | Grassystatin A)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E in human MCF7 cells by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50302107
PNG
(CHEMBL567893 | Grassystatin A)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E in human MCF7 cells treated for 1 hr measured after washout and trypsin treatment by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM202627
PNG
(US9242943, 36)
Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2cc(F)cc3cc(Cl)cnc23)c1
Show InChI InChI=1/C20H18ClFN4O/c1-20(11-27-10-18(23)26-20)13-3-2-4-16(7-13)25-17-8-15(22)6-12-5-14(21)9-24-19(12)17/h2-9,25H,10-11H2,1H3,(H2,23,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A substrate peptide is labeled at the N-terminus with tryptophan and at the C-terminus with the fluorophore MR121 (for cathepsin D the 10 amino acid ...


US Patent US9242943 (2016)

More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
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 5.00E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E in human MCF7 cells treated for 1 hr measured after washout and trypsin treatment by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
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