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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50044265   
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))
BDBM50010851
PNG
(CHEMBL3264810)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C40H55N3O4/c1-6-21-43(22-7-2)39(46)33-25-31(30-17-12-9-13-18-30)24-32(26-33)38(45)42-36(23-29-15-10-8-11-16-29)37(44)28-41-40(3,4)34-19-14-20-35(27-34)47-5/h8,10-11,14-16,19-20,24-27,30,36-37,41,44H,6-7,9,12-13,17-18,21-23,28H2,1-5H3,(H,42,45)/t36-,37+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010852
PNG
(CHEMBL3264811)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCC1 |r|
Show InChI InChI=1S/C38H52N4O4/c1-6-18-42(19-7-2)37(45)30-23-29(24-32(25-30)41-20-11-12-21-41)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)46-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010851
PNG
(CHEMBL3264810)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C40H55N3O4/c1-6-21-43(22-7-2)39(46)33-25-31(30-17-12-9-13-18-30)24-32(26-33)38(45)42-36(23-29-15-10-8-11-16-29)37(44)28-41-40(3,4)34-19-14-20-35(27-34)47-5/h8,10-11,14-16,19-20,24-27,30,36-37,41,44H,6-7,9,12-13,17-18,21-23,28H2,1-5H3,(H,42,45)/t36-,37+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010849
PNG
(CHEMBL3264808)
Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1CCCC1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H48N4O4/c1-37(2,30-15-12-16-32(25-30)45-3)38-26-34(42)33(21-27-13-6-4-7-14-27)39-35(43)28-22-29(36(44)41-19-10-11-20-41)24-31(23-28)40-17-8-5-9-18-40/h4,6-7,12-16,22-25,33-34,38,42H,5,8-11,17-21,26H2,1-3H3,(H,39,43)/t33-,34+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010894
PNG
(CHEMBL3264800)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(O)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C38H52N4O4/c1-5-18-42(19-6-2)37(46)30-23-29(24-32(25-30)41-20-11-8-12-21-41)36(45)40-34(22-28-14-9-7-10-15-28)35(44)27-39-38(3,4)31-16-13-17-33(43)26-31/h7,9-10,13-17,23-26,34-35,39,43-44H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,45)/t34-,35+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010882
PNG
(CHEMBL3264799)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C39H54N4O4/c1-6-19-43(20-7-2)38(46)31-24-30(25-33(26-31)42-21-12-9-13-22-42)37(45)41-35(23-29-15-10-8-11-16-29)36(44)28-40-39(3,4)32-17-14-18-34(27-32)47-5/h8,10-11,14-18,24-27,35-36,40,44H,6-7,9,12-13,19-23,28H2,1-5H3,(H,41,45)/t35-,36+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010854
PNG
(CHEMBL587764 | TCMDC-134674)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCS1(=O)=O |r|
Show InChI InChI=1S/C38H52N4O6S/c1-6-18-41(19-7-2)37(45)30-23-29(24-32(25-30)42-20-11-12-21-49(42,46)47)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)48-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010896
PNG
(CHEMBL3264801)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCC1 |r|
Show InChI InChI=1S/C38H52N4O3/c1-5-20-42(21-6-2)37(45)31-25-30(26-33(27-31)41-22-14-9-15-23-41)36(44)40-34(24-29-16-10-7-11-17-29)35(43)28-39-38(3,4)32-18-12-8-13-19-32/h7-8,10-13,16-19,25-27,34-35,39,43H,5-6,9,14-15,20-24,28H2,1-4H3,(H,40,44)/t34-,35+/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010853
PNG
(CHEMBL3264812)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C40H49N3O4/c1-6-21-43(22-7-2)39(46)33-25-31(30-17-12-9-13-18-30)24-32(26-33)38(45)42-36(23-29-15-10-8-11-16-29)37(44)28-41-40(3,4)34-19-14-20-35(27-34)47-5/h8-20,24-27,36-37,41,44H,6-7,21-23,28H2,1-5H3,(H,42,45)/t36-,37+/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010843
PNG
(CHEMBL3264805)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cncc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C38H53N5O4/c1-6-16-43(17-7-2)37(46)30-21-29(22-32(23-30)42-18-12-9-13-19-42)36(45)41-34(20-28-14-10-8-11-15-28)35(44)27-40-38(3,4)31-24-33(47-5)26-39-25-31/h8,10-11,14-15,21-26,34-35,40,44H,6-7,9,12-13,16-20,27H2,1-5H3,(H,41,45)/t34-,35+/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010882
PNG
(CHEMBL3264799)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C39H54N4O4/c1-6-19-43(20-7-2)38(46)31-24-30(25-33(26-31)42-21-12-9-13-22-42)37(45)41-35(23-29-15-10-8-11-16-29)36(44)28-40-39(3,4)32-17-14-18-34(27-32)47-5/h8,10-11,14-18,24-27,35-36,40,44H,6-7,9,12-13,19-23,28H2,1-5H3,(H,41,45)/t35-,36+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010853
PNG
(CHEMBL3264812)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C40H49N3O4/c1-6-21-43(22-7-2)39(46)33-25-31(30-17-12-9-13-18-30)24-32(26-33)38(45)42-36(23-29-15-10-8-11-16-29)37(44)28-41-40(3,4)34-19-14-20-35(27-34)47-5/h8-20,24-27,36-37,41,44H,6-7,21-23,28H2,1-5H3,(H,42,45)/t36-,37+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010894
PNG
(CHEMBL3264800)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(O)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C38H52N4O4/c1-5-18-42(19-6-2)37(46)30-23-29(24-32(25-30)41-20-11-8-12-21-41)36(45)40-34(22-28-14-9-7-10-15-28)35(44)27-39-38(3,4)31-16-13-17-33(43)26-31/h7,9-10,13-17,23-26,34-35,39,43-44H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,45)/t34-,35+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010846
PNG
(CHEMBL3264806)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1(CC1)c1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C39H52N4O4/c1-4-19-43(20-5-2)38(46)31-24-30(25-33(26-31)42-21-10-7-11-22-42)37(45)41-35(23-29-13-8-6-9-14-29)36(44)28-40-39(17-18-39)32-15-12-16-34(27-32)47-3/h6,8-9,12-16,24-27,35-36,40,44H,4-5,7,10-11,17-23,28H2,1-3H3,(H,41,45)/t35-,36+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010896
PNG
(CHEMBL3264801)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCC1 |r|
Show InChI InChI=1S/C38H52N4O3/c1-5-20-42(21-6-2)37(45)31-25-30(26-33(27-31)41-22-14-9-15-23-41)36(44)40-34(24-29-16-10-7-11-17-29)35(43)28-39-38(3,4)32-18-12-8-13-19-32/h7-8,10-13,16-19,25-27,34-35,39,43H,5-6,9,14-15,20-24,28H2,1-4H3,(H,40,44)/t34-,35+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010848
PNG
(CHEMBL3259870)
Show SMILES CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C36H48N4O4/c1-5-17-37-34(42)27-21-28(23-30(22-27)40-18-10-7-11-19-40)35(43)39-32(20-26-13-8-6-9-14-26)33(41)25-38-36(2,3)29-15-12-16-31(24-29)44-4/h6,8-9,12-16,21-24,32-33,38,41H,5,7,10-11,17-20,25H2,1-4H3,(H,37,42)(H,39,43)/t32-,33+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010852
PNG
(CHEMBL3264811)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCC1 |r|
Show InChI InChI=1S/C38H52N4O4/c1-6-18-42(19-7-2)37(45)30-23-29(24-32(25-30)41-20-11-12-21-41)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)46-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010856
PNG
(CHEMBL3264797)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCS1(=O)=O |r|
Show InChI InChI=1S/C37H50N4O5S/c1-5-19-40(20-6-2)36(44)30-24-29(25-32(26-30)41-21-13-14-22-47(41,45)46)35(43)39-33(23-28-15-9-7-10-16-28)34(42)27-38-37(3,4)31-17-11-8-12-18-31/h7-12,15-18,24-26,33-34,38,42H,5-6,13-14,19-23,27H2,1-4H3,(H,39,43)/t33-,34+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010899
PNG
(CHEMBL3264803)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccnc1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H51N5O3/c1-5-18-42(19-6-2)36(45)30-23-29(24-32(25-30)41-20-11-8-12-21-41)35(44)40-33(22-28-14-9-7-10-15-28)34(43)27-39-37(3,4)31-16-13-17-38-26-31/h7,9-10,13-17,23-26,33-34,39,43H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,44)/t33-,34+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010854
PNG
(CHEMBL587764 | TCMDC-134674)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCS1(=O)=O |r|
Show InChI InChI=1S/C38H52N4O6S/c1-6-18-41(19-7-2)37(45)30-23-29(24-32(25-30)42-20-11-12-21-49(42,46)47)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)48-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1
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Article
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n/an/a 150n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasmepsin II


(Plasmodium falciparum)
BDBM50010846
PNG
(CHEMBL3264806)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1(CC1)c1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C39H52N4O4/c1-4-19-43(20-5-2)38(46)31-24-30(25-33(26-31)42-21-10-7-11-22-42)37(45)41-35(23-29-13-8-6-9-14-29)36(44)28-40-39(17-18-39)32-15-12-16-34(27-32)47-3/h6,8-9,12-16,24-27,35-36,40,44H,4-5,7,10-11,17-23,28H2,1-3H3,(H,41,45)/t35-,36+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010839
PNG
(CHEMBL3264804)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccncc1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H51N5O3/c1-5-19-42(20-6-2)36(45)30-24-29(25-32(26-30)41-21-11-8-12-22-41)35(44)40-33(23-28-13-9-7-10-14-28)34(43)27-39-37(3,4)31-15-17-38-18-16-31/h7,9-10,13-18,24-26,33-34,39,43H,5-6,8,11-12,19-23,27H2,1-4H3,(H,40,44)/t33-,34+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010899
PNG
(CHEMBL3264803)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccnc1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H51N5O3/c1-5-18-42(19-6-2)36(45)30-23-29(24-32(25-30)41-20-11-8-12-21-41)35(44)40-33(22-28-14-9-7-10-15-28)34(43)27-39-37(3,4)31-16-13-17-38-26-31/h7,9-10,13-17,23-26,33-34,39,43H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,44)/t33-,34+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010843
PNG
(CHEMBL3264805)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cncc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C38H53N5O4/c1-6-16-43(17-7-2)37(46)30-21-29(22-32(23-30)42-18-12-9-13-19-42)36(45)41-34(20-28-14-10-8-11-15-28)35(44)27-40-38(3,4)31-24-33(47-5)26-39-25-31/h8,10-11,14-15,21-26,34-35,40,44H,6-7,9,12-13,16-20,27H2,1-5H3,(H,41,45)/t34-,35+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010847
PNG
(CHEMBL3264807)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H50N4O4/c1-4-17-41(18-5-2)37(44)31-23-30(24-32(25-31)40-19-10-7-11-20-40)36(43)39-34(22-28-13-8-6-9-14-28)35(42)27-38-26-29-15-12-16-33(21-29)45-3/h6,8-9,12-16,21,23-25,34-35,38,42H,4-5,7,10-11,17-20,22,26-27H2,1-3H3,(H,39,43)/t34-,35+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010851
PNG
(CHEMBL3264810)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C40H55N3O4/c1-6-21-43(22-7-2)39(46)33-25-31(30-17-12-9-13-18-30)24-32(26-33)38(45)42-36(23-29-15-10-8-11-16-29)37(44)28-41-40(3,4)34-19-14-20-35(27-34)47-5/h8,10-11,14-16,19-20,24-27,30,36-37,41,44H,6-7,9,12-13,17-18,21-23,28H2,1-5H3,(H,42,45)/t36-,37+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010853
PNG
(CHEMBL3264812)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C40H49N3O4/c1-6-21-43(22-7-2)39(46)33-25-31(30-17-12-9-13-18-30)24-32(26-33)38(45)42-36(23-29-15-10-8-11-16-29)37(44)28-41-40(3,4)34-19-14-20-35(27-34)47-5/h8-20,24-27,36-37,41,44H,6-7,21-23,28H2,1-5H3,(H,42,45)/t36-,37+/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010839
PNG
(CHEMBL3264804)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccncc1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H51N5O3/c1-5-19-42(20-6-2)36(45)30-24-29(25-32(26-30)41-21-11-8-12-22-41)35(44)40-33(23-28-13-9-7-10-14-28)34(43)27-39-37(3,4)31-15-17-38-18-16-31/h7,9-10,13-18,24-26,33-34,39,43H,5-6,8,11-12,19-23,27H2,1-4H3,(H,40,44)/t33-,34+/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010882
PNG
(CHEMBL3264799)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C39H54N4O4/c1-6-19-43(20-7-2)38(46)31-24-30(25-33(26-31)42-21-12-9-13-22-42)37(45)41-35(23-29-15-10-8-11-16-29)36(44)28-40-39(3,4)32-17-14-18-34(27-32)47-5/h8,10-11,14-18,24-27,35-36,40,44H,6-7,9,12-13,19-23,28H2,1-5H3,(H,41,45)/t35-,36+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010856
PNG
(CHEMBL3264797)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCS1(=O)=O |r|
Show InChI InChI=1S/C37H50N4O5S/c1-5-19-40(20-6-2)36(44)30-24-29(25-32(26-30)41-21-13-14-22-47(41,45)46)35(43)39-33(23-28-15-9-7-10-16-28)34(42)27-38-37(3,4)31-17-11-8-12-18-31/h7-12,15-18,24-26,33-34,38,42H,5-6,13-14,19-23,27H2,1-4H3,(H,39,43)/t33-,34+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010846
PNG
(CHEMBL3264806)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1(CC1)c1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C39H52N4O4/c1-4-19-43(20-5-2)38(46)31-24-30(25-33(26-31)42-21-10-7-11-22-42)37(45)41-35(23-29-13-8-6-9-14-29)36(44)28-40-39(17-18-39)32-15-12-16-34(27-32)47-3/h6,8-9,12-16,24-27,35-36,40,44H,4-5,7,10-11,17-23,28H2,1-3H3,(H,41,45)/t35-,36+/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010897
PNG
(CHEMBL3264802)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccn1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H51N5O3/c1-5-19-42(20-6-2)36(45)30-24-29(25-31(26-30)41-21-13-8-14-22-41)35(44)40-32(23-28-15-9-7-10-16-28)33(43)27-39-37(3,4)34-17-11-12-18-38-34/h7,9-12,15-18,24-26,32-33,39,43H,5-6,8,13-14,19-23,27H2,1-4H3,(H,40,44)/t32-,33+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010899
PNG
(CHEMBL3264803)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccnc1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H51N5O3/c1-5-18-42(19-6-2)36(45)30-23-29(24-32(25-30)41-20-11-8-12-21-41)35(44)40-33(22-28-14-9-7-10-15-28)34(43)27-39-37(3,4)31-16-13-17-38-26-31/h7,9-10,13-17,23-26,33-34,39,43H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,44)/t33-,34+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010894
PNG
(CHEMBL3264800)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(O)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C38H52N4O4/c1-5-18-42(19-6-2)37(46)30-23-29(24-32(25-30)41-20-11-8-12-21-41)36(45)40-34(22-28-14-9-7-10-15-28)35(44)27-39-38(3,4)31-16-13-17-33(43)26-31/h7,9-10,13-17,23-26,34-35,39,43-44H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,45)/t34-,35+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010845
PNG
(CHEMBL581498 | TCMDC-138893)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
Show InChI InChI=1S/C36H48N4O6S/c1-4-16-39(17-5-2)36(43)30-22-29(23-31(24-30)40-18-9-10-19-47(40,44)45)35(42)38-33(21-27-12-7-6-8-13-27)34(41)26-37-25-28-14-11-15-32(20-28)46-3/h6-8,11-15,20,22-24,33-34,37,41H,4-5,9-10,16-19,21,25-26H2,1-3H3,(H,38,42)/t33-,34+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010896
PNG
(CHEMBL3264801)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCC1 |r|
Show InChI InChI=1S/C38H52N4O3/c1-5-20-42(21-6-2)37(45)31-25-30(26-33(27-31)41-22-14-9-15-23-41)36(44)40-34(24-29-16-10-7-11-17-29)35(43)28-39-38(3,4)32-18-12-8-13-19-32/h7-8,10-13,16-19,25-27,34-35,39,43H,5-6,9,14-15,20-24,28H2,1-4H3,(H,40,44)/t34-,35+/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010852
PNG
(CHEMBL3264811)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCC1 |r|
Show InChI InChI=1S/C38H52N4O4/c1-6-18-42(19-7-2)37(45)30-23-29(24-32(25-30)41-20-11-12-21-41)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)46-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010839
PNG
(CHEMBL3264804)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccncc1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H51N5O3/c1-5-19-42(20-6-2)36(45)30-24-29(25-32(26-30)41-21-11-8-12-22-41)35(44)40-33(23-28-13-9-7-10-14-28)34(43)27-39-37(3,4)31-15-17-38-18-16-31/h7,9-10,13-18,24-26,33-34,39,43H,5-6,8,11-12,19-23,27H2,1-4H3,(H,40,44)/t33-,34+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010848
PNG
(CHEMBL3259870)
Show SMILES CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C36H48N4O4/c1-5-17-37-34(42)27-21-28(23-30(22-27)40-18-10-7-11-19-40)35(43)39-32(20-26-13-8-6-9-14-26)33(41)25-38-36(2,3)29-15-12-16-31(24-29)44-4/h6,8-9,12-16,21-24,32-33,38,41H,5,7,10-11,17-20,25H2,1-4H3,(H,37,42)(H,39,43)/t32-,33+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50010850
PNG
(CHEMBL3264809)
Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(N)=O)N1CCCCC1 |r|
Show InChI InChI=1S/C33H42N4O4/c1-33(2,26-13-10-14-28(21-26)41-3)35-22-30(38)29(17-23-11-6-4-7-12-23)36-32(40)25-18-24(31(34)39)19-27(20-25)37-15-8-5-9-16-37/h4,6-7,10-14,18-21,29-30,35,38H,5,8-9,15-17,22H2,1-3H3,(H2,34,39)(H,36,40)/t29-,30+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010849
PNG
(CHEMBL3264808)
Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1CCCC1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H48N4O4/c1-37(2,30-15-12-16-32(25-30)45-3)38-26-34(42)33(21-27-13-6-4-7-14-27)39-35(43)28-22-29(36(44)41-19-10-11-20-41)24-31(23-28)40-17-8-5-9-18-40/h4,6-7,12-16,22-25,33-34,38,42H,5,8-11,17-21,26H2,1-3H3,(H,39,43)/t33-,34+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010843
PNG
(CHEMBL3264805)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cncc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C38H53N5O4/c1-6-16-43(17-7-2)37(46)30-21-29(22-32(23-30)42-18-12-9-13-19-42)36(45)41-34(20-28-14-10-8-11-15-28)35(44)27-40-38(3,4)31-24-33(47-5)26-39-25-31/h8,10-11,14-15,21-26,34-35,40,44H,6-7,9,12-13,16-20,27H2,1-5H3,(H,41,45)/t34-,35+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010847
PNG
(CHEMBL3264807)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H50N4O4/c1-4-17-41(18-5-2)37(44)31-23-30(24-32(25-31)40-19-10-7-11-20-40)36(43)39-34(22-28-13-8-6-9-14-28)35(42)27-38-26-29-15-12-16-33(21-29)45-3/h6,8-9,12-16,21,23-25,34-35,38,42H,4-5,7,10-11,17-20,22,26-27H2,1-3H3,(H,39,43)/t34-,35+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010854
PNG
(CHEMBL587764 | TCMDC-134674)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCS1(=O)=O |r|
Show InChI InChI=1S/C38H52N4O6S/c1-6-18-41(19-7-2)37(45)30-23-29(24-32(25-30)42-20-11-12-21-49(42,46)47)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)48-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010848
PNG
(CHEMBL3259870)
Show SMILES CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C36H48N4O4/c1-5-17-37-34(42)27-21-28(23-30(22-27)40-18-10-7-11-19-40)35(43)39-32(20-26-13-8-6-9-14-26)33(41)25-38-36(2,3)29-15-12-16-31(24-29)44-4/h6,8-9,12-16,21-24,32-33,38,41H,5,7,10-11,17-20,25H2,1-4H3,(H,37,42)(H,39,43)/t32-,33+/m0/s1
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Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010897
PNG
(CHEMBL3264802)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccn1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H51N5O3/c1-5-19-42(20-6-2)36(45)30-24-29(25-31(26-30)41-21-13-8-14-22-41)35(44)40-32(23-28-15-9-7-10-16-28)33(43)27-39-37(3,4)34-17-11-12-18-38-34/h7,9-12,15-18,24-26,32-33,39,43H,5-6,8,13-14,19-23,27H2,1-4H3,(H,40,44)/t32-,33+/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010849
PNG
(CHEMBL3264808)
Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1CCCC1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H48N4O4/c1-37(2,30-15-12-16-32(25-30)45-3)38-26-34(42)33(21-27-13-6-4-7-14-27)39-35(43)28-22-29(36(44)41-19-10-11-20-41)24-31(23-28)40-17-8-5-9-18-40/h4,6-7,12-16,22-25,33-34,38,42H,5,8-11,17-21,26H2,1-3H3,(H,39,43)/t33-,34+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010856
PNG
(CHEMBL3264797)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCS1(=O)=O |r|
Show InChI InChI=1S/C37H50N4O5S/c1-5-19-40(20-6-2)36(44)30-24-29(25-32(26-30)41-21-13-14-22-47(41,45)46)35(43)39-33(23-28-15-9-7-10-16-28)34(42)27-38-37(3,4)31-17-11-8-12-18-31/h7-12,15-18,24-26,33-34,38,42H,5-6,13-14,19-23,27H2,1-4H3,(H,39,43)/t33-,34+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010845
PNG
(CHEMBL581498 | TCMDC-138893)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
Show InChI InChI=1S/C36H48N4O6S/c1-4-16-39(17-5-2)36(43)30-22-29(23-31(24-30)40-18-9-10-19-47(40,44)45)35(42)38-33(21-27-12-7-6-8-13-27)34(41)26-37-25-28-14-11-15-32(20-28)46-3/h6-8,11-15,20,22-24,33-34,37,41H,4-5,9-10,16-19,21,25-26H2,1-3H3,(H,38,42)/t33-,34+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010897
PNG
(CHEMBL3264802)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccn1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H51N5O3/c1-5-19-42(20-6-2)36(45)30-24-29(25-31(26-30)41-21-13-8-14-22-41)35(44)40-32(23-28-15-9-7-10-16-28)33(43)27-39-37(3,4)34-17-11-12-18-38-34/h7,9-12,15-18,24-26,32-33,39,43H,5-6,8,13-14,19-23,27H2,1-4H3,(H,40,44)/t32-,33+/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair
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