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PubMed code 26670264

Compile data set for download or QSAR
Found 73 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Plasmepsin II


(Plasmodium falciparum)		BDBM50145775
PNG
(CHEMBL3764174)
Show SMILES CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C30H33N3O2/c1-2-3-5-8-21-11-13-22(14-12-21)24-15-17-26-27(19-24)32-30(31)33(29(26)34)20-25-16-18-28(35-25)23-9-6-4-7-10-23/h4,6-7,9-15,17,19,25,28H,2-3,5,8,16,18,20H2,1H3,(H2,31,32)/t25-,28+/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 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145778
PNG
(CHEMBL3763261)
Show SMILES CCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C29H31N3O2/c1-2-3-7-20-10-12-21(13-11-20)23-14-16-25-26(18-23)31-29(30)32(28(25)33)19-24-15-17-27(34-24)22-8-5-4-6-9-22/h4-6,8-14,16,18,24,27H,2-3,7,15,17,19H2,1H3,(H2,30,31)/t24-,27+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145773
PNG
(CHEMBL3765317)
Show SMILES COC(=O)CCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C29H29N3O4/c1-35-27(33)16-9-19-7-10-20(11-8-19)22-12-14-24-25(17-22)31-29(30)32(28(24)34)18-23-13-15-26(36-23)21-5-3-2-4-6-21/h2-8,10-12,14,17,23,26H,9,13,15-16,18H2,1H3,(H2,30,31)/t23-,26+/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 1 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145778
PNG
(CHEMBL3763261)
Show SMILES CCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C29H31N3O2/c1-2-3-7-20-10-12-21(13-11-20)23-14-16-25-26(18-23)31-29(30)32(28(25)33)19-24-15-17-27(34-24)22-8-5-4-6-9-22/h4-6,8-14,16,18,24,27H,2-3,7,15,17,19H2,1H3,(H2,30,31)/t24-,27+/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 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145775
PNG
(CHEMBL3764174)
Show SMILES CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C30H33N3O2/c1-2-3-5-8-21-11-13-22(14-12-21)24-15-17-26-27(19-24)32-30(31)33(29(26)34)20-25-16-18-28(35-25)23-9-6-4-7-10-23/h4,6-7,9-15,17,19,25,28H,2-3,5,8,16,18,20H2,1H3,(H2,31,32)/t25-,28+/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 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50139140
PNG
(CHEMBL3763404)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@H]1CC[C@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23+/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Plasmepsin II


(Plasmodium falciparum)		BDBM50145784
PNG
(CHEMBL3765358)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCC2CC2)cc1 |r|
Show InChI InChI=1S/C30H31N3O2/c31-30-32-27-18-24(22-12-10-21(11-13-22)9-8-20-6-7-20)14-16-26(27)29(34)33(30)19-25-15-17-28(35-25)23-4-2-1-3-5-23/h1-5,10-14,16,18,20,25,28H,6-9,15,17,19H2,(H2,31,32)/t25-,28+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145784
PNG
(CHEMBL3765358)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCC2CC2)cc1 |r|
Show InChI InChI=1S/C30H31N3O2/c31-30-32-27-18-24(22-12-10-21(11-13-22)9-8-20-6-7-20)14-16-26(27)29(34)33(30)19-25-15-17-28(35-25)23-4-2-1-3-5-23/h1-5,10-14,16,18,20,25,28H,6-9,15,17,19H2,(H2,31,32)/t25-,28+/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145680
PNG
(CHEMBL3763159)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(cc1)C1CCCCC1 |r|
Show InChI InChI=1S/C31H33N3O2/c32-31-33-28-19-25(23-13-11-22(12-14-23)21-7-3-1-4-8-21)15-17-27(28)30(35)34(31)20-26-16-18-29(36-26)24-9-5-2-6-10-24/h2,5-6,9-15,17,19,21,26,29H,1,3-4,7-8,16,18,20H2,(H2,32,33)/t26-,29+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50139142
PNG
(CHEMBL3764405)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23+/m0/s1
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n/an/a 570n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50139142
PNG
(CHEMBL3764405)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23+/m0/s1
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n/an/a 570n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145783
PNG
(CHEMBL3764738)
Show SMILES CC(C)CCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C30H33N3O2/c1-20(2)8-9-21-10-12-22(13-11-21)24-14-16-26-27(18-24)32-30(31)33(29(26)34)19-25-15-17-28(35-25)23-6-4-3-5-7-23/h3-7,10-14,16,18,20,25,28H,8-9,15,17,19H2,1-2H3,(H2,31,32)/t25-,28+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145774
PNG
(CHEMBL3765238)
Show SMILES CCCCc1cccc(c1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C29H31N3O2/c1-2-3-8-20-9-7-12-22(17-20)23-13-15-25-26(18-23)31-29(30)32(28(25)33)19-24-14-16-27(34-24)21-10-5-4-6-11-21/h4-7,9-13,15,17-18,24,27H,2-3,8,14,16,19H2,1H3,(H2,30,31)/t24-,27+/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 1 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50139140
PNG
(CHEMBL3763404)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@H]1CC[C@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145773
PNG
(CHEMBL3765317)
Show SMILES COC(=O)CCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C29H29N3O4/c1-35-27(33)16-9-19-7-10-20(11-8-19)22-12-14-24-25(17-22)31-29(30)32(28(24)34)18-23-13-15-26(36-23)21-5-3-2-4-6-21/h2-8,10-12,14,17,23,26H,9,13,15-16,18H2,1H3,(H2,30,31)/t23-,26+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145783
PNG
(CHEMBL3764738)
Show SMILES CC(C)CCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C30H33N3O2/c1-20(2)8-9-21-10-12-22(13-11-21)24-14-16-26-27(18-24)32-30(31)33(29(26)34)19-25-15-17-28(35-25)23-6-4-3-5-7-23/h3-7,10-14,16,18,20,25,28H,8-9,15,17,19H2,1-2H3,(H2,31,32)/t25-,28+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145777
PNG
(CHEMBL3764953)
Show SMILES CC(C)[C@H]1CC[C@@H](Cn2c(N)nc3cc(ccc3c2=O)-c2ccccc2)O1 |r|
Show InChI InChI=1S/C22H25N3O2/c1-14(2)20-11-9-17(27-20)13-25-21(26)18-10-8-16(12-19(18)24-22(25)23)15-6-4-3-5-7-15/h3-8,10,12,14,17,20H,9,11,13H2,1-2H3,(H2,23,24)/t17-,20+/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 2 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145787
PNG
(CHEMBL3763442)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C33H31N3O2/c34-33-35-30-21-27(25-15-13-24(14-16-25)12-11-23-7-3-1-4-8-23)17-19-29(30)32(37)36(33)22-28-18-20-31(38-28)26-9-5-2-6-10-26/h1-10,13-17,19,21,28,31H,11-12,18,20,22H2,(H2,34,35)/t28-,31+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145774
PNG
(CHEMBL3765238)
Show SMILES CCCCc1cccc(c1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C29H31N3O2/c1-2-3-8-20-9-7-12-22(17-20)23-13-15-25-26(18-23)31-29(30)32(28(25)33)19-24-14-16-27(34-24)21-10-5-4-6-11-21/h4-7,9-13,15,17-18,24,27H,2-3,8,14,16,19H2,1H3,(H2,30,31)/t24-,27+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145787
PNG
(CHEMBL3763442)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C33H31N3O2/c34-33-35-30-21-27(25-15-13-24(14-16-25)12-11-23-7-3-1-4-8-23)17-19-29(30)32(37)36(33)22-28-18-20-31(38-28)26-9-5-2-6-10-26/h1-10,13-17,19,21,28,31H,11-12,18,20,22H2,(H2,34,35)/t28-,31+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145780
PNG
(CHEMBL3763524)
Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCC2(CCCCC2)O1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c25-23-26-21-15-18(17-7-3-1-4-8-17)9-10-20(21)22(28)27(23)16-19-11-14-24(29-19)12-5-2-6-13-24/h1,3-4,7-10,15,19H,2,5-6,11-14,16H2,(H2,25,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145778
PNG
(CHEMBL3763261)
Show SMILES CCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C29H31N3O2/c1-2-3-7-20-10-12-21(13-11-20)23-14-16-25-26(18-23)31-29(30)32(28(25)33)19-24-15-17-27(34-24)22-8-5-4-6-9-22/h4-6,8-14,16,18,24,27H,2-3,7,15,17,19H2,1H3,(H2,30,31)/t24-,27+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50139143
PNG
(CHEMBL3764744)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CCCO1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O2/c20-19-21-17-11-14(13-5-2-1-3-6-13)8-9-16(17)18(23)22(19)12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H2,20,21)/t15-/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
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145777
PNG
(CHEMBL3764953)
Show SMILES CC(C)[C@H]1CC[C@@H](Cn2c(N)nc3cc(ccc3c2=O)-c2ccccc2)O1 |r|
Show InChI InChI=1S/C22H25N3O2/c1-14(2)20-11-9-17(27-20)13-25-21(26)18-10-8-16(12-19(18)24-22(25)23)15-6-4-3-5-7-15/h3-8,10,12,14,17,20H,9,11,13H2,1-2H3,(H2,23,24)/t17-,20+/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 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50139141
PNG
(CHEMBL3764837)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145680
PNG
(CHEMBL3763159)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(cc1)C1CCCCC1 |r|
Show InChI InChI=1S/C31H33N3O2/c32-31-33-28-19-25(23-13-11-22(12-14-23)21-7-3-1-4-8-21)15-17-27(28)30(35)34(31)20-26-16-18-29(36-26)24-9-5-2-6-10-24/h2,5-6,9-15,17,19,21,26,29H,1,3-4,7-8,16,18,20H2,(H2,32,33)/t26-,29+/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145182
PNG
(CHEMBL3763955)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccc2ccccc2c1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H25N3O2/c30-29-31-26-17-22(19-6-2-1-3-7-19)12-14-25(26)28(33)32(29)18-24-13-15-27(34-24)23-11-10-20-8-4-5-9-21(20)16-23/h1-12,14,16-17,24,27H,13,15,18H2,(H2,30,31)/t24-,27+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145773
PNG
(CHEMBL3765317)
Show SMILES COC(=O)CCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C29H29N3O4/c1-35-27(33)16-9-19-7-10-20(11-8-19)22-12-14-24-25(17-22)31-29(30)32(28(24)34)18-23-13-15-26(36-23)21-5-3-2-4-6-21/h2-8,10-12,14,17,23,26H,9,13,15-16,18H2,1H3,(H2,30,31)/t23-,26+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50139141
PNG
(CHEMBL3764837)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145774
PNG
(CHEMBL3765238)
Show SMILES CCCCc1cccc(c1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C29H31N3O2/c1-2-3-8-20-9-7-12-22(17-20)23-13-15-25-26(18-23)31-29(30)32(28(25)33)19-24-14-16-27(34-24)21-10-5-4-6-11-21/h4-7,9-13,15,17-18,24,27H,2-3,8,14,16,19H2,1H3,(H2,30,31)/t24-,27+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145784
PNG
(CHEMBL3765358)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCC2CC2)cc1 |r|
Show InChI InChI=1S/C30H31N3O2/c31-30-32-27-18-24(22-12-10-21(11-13-22)9-8-20-6-7-20)14-16-26(27)29(34)33(30)19-25-15-17-28(35-25)23-4-2-1-3-5-23/h1-5,10-14,16,18,20,25,28H,6-9,15,17,19H2,(H2,31,32)/t25-,28+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145786
PNG
(CHEMBL3763523)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C34H33N3O2/c35-34-36-31-22-28(26-16-14-25(15-17-26)11-7-10-24-8-3-1-4-9-24)18-20-30(31)33(38)37(34)23-29-19-21-32(39-29)27-12-5-2-6-13-27/h1-6,8-9,12-18,20,22,29,32H,7,10-11,19,21,23H2,(H2,35,36)/t29-,32+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145182
PNG
(CHEMBL3763955)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccc2ccccc2c1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H25N3O2/c30-29-31-26-17-22(19-6-2-1-3-7-19)12-14-25(26)28(33)32(29)18-24-13-15-27(34-24)23-11-10-20-8-4-5-9-21(20)16-23/h1-12,14,16-17,24,27H,13,15,18H2,(H2,30,31)/t24-,27+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50139142
PNG
(CHEMBL3764405)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23+/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50139140
PNG
(CHEMBL3763404)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@H]1CC[C@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23+/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50139142
PNG
(CHEMBL3764405)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23+/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145775
PNG
(CHEMBL3764174)
Show SMILES CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C30H33N3O2/c1-2-3-5-8-21-11-13-22(14-12-21)24-15-17-26-27(19-24)32-30(31)33(29(26)34)20-25-16-18-28(35-25)23-9-6-4-7-10-23/h4,6-7,9-15,17,19,25,28H,2-3,5,8,16,18,20H2,1H3,(H2,31,32)/t25-,28+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145780
PNG
(CHEMBL3763524)
Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCC2(CCCCC2)O1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c25-23-26-21-15-18(17-7-3-1-4-8-17)9-10-20(21)22(28)27(23)16-19-11-14-24(29-19)12-5-2-6-13-24/h1,3-4,7-10,15,19H,2,5-6,11-14,16H2,(H2,25,26)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145786
PNG
(CHEMBL3763523)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C34H33N3O2/c35-34-36-31-22-28(26-16-14-25(15-17-26)11-7-10-24-8-3-1-4-9-24)18-20-30(31)33(38)37(34)23-29-19-21-32(39-29)27-12-5-2-6-13-27/h1-6,8-9,12-18,20,22,29,32H,7,10-11,19,21,23H2,(H2,35,36)/t29-,32+/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50139143
PNG
(CHEMBL3764744)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CCCO1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O2/c20-19-21-17-11-14(13-5-2-1-3-6-13)8-9-16(17)18(23)22(19)12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H2,20,21)/t15-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145183
PNG
(CHEMBL3763489)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C35H35N3O2/c36-35-37-32-23-29(27-17-15-26(16-18-27)12-8-7-11-25-9-3-1-4-10-25)19-21-31(32)34(39)38(35)24-30-20-22-33(40-30)28-13-5-2-6-14-28/h1-6,9-10,13-19,21,23,30,33H,7-8,11-12,20,22,24H2,(H2,36,37)/t30-,33+/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145680
PNG
(CHEMBL3763159)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(cc1)C1CCCCC1 |r|
Show InChI InChI=1S/C31H33N3O2/c32-31-33-28-19-25(23-13-11-22(12-14-23)21-7-3-1-4-8-21)15-17-27(28)30(35)34(31)20-26-16-18-29(36-26)24-9-5-2-6-10-24/h2,5-6,9-15,17,19,21,26,29H,1,3-4,7-8,16,18,20H2,(H2,32,33)/t26-,29+/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145780
PNG
(CHEMBL3763524)
Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCC2(CCCCC2)O1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c25-23-26-21-15-18(17-7-3-1-4-8-17)9-10-20(21)22(28)27(23)16-19-11-14-24(29-19)12-5-2-6-13-24/h1,3-4,7-10,15,19H,2,5-6,11-14,16H2,(H2,25,26)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50139141
PNG
(CHEMBL3764837)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145785
PNG
(CHEMBL3764518)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCC2CCCCC2)cc1 |r|
Show InChI InChI=1S/C33H37N3O2/c34-33-35-30-21-27(25-15-13-24(14-16-25)12-11-23-7-3-1-4-8-23)17-19-29(30)32(37)36(33)22-28-18-20-31(38-28)26-9-5-2-6-10-26/h2,5-6,9-10,13-17,19,21,23,28,31H,1,3-4,7-8,11-12,18,20,22H2,(H2,34,35)/t28-,31+/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145786
PNG
(CHEMBL3763523)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C34H33N3O2/c35-34-36-31-22-28(26-16-14-25(15-17-26)11-7-10-24-8-3-1-4-9-24)18-20-30(31)33(38)37(34)23-29-19-21-32(39-29)27-12-5-2-6-13-27/h1-6,8-9,12-18,20,22,29,32H,7,10-11,19,21,23H2,(H2,35,36)/t29-,32+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145785
PNG
(CHEMBL3764518)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCC2CCCCC2)cc1 |r|
Show InChI InChI=1S/C33H37N3O2/c34-33-35-30-21-27(25-15-13-24(14-16-25)12-11-23-7-3-1-4-8-23)17-19-29(30)32(37)36(33)22-28-18-20-31(38-28)26-9-5-2-6-10-26/h2,5-6,9-10,13-17,19,21,23,28,31H,1,3-4,7-8,11-12,18,20,22H2,(H2,34,35)/t28-,31+/m0/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145186
PNG
(CHEMBL3763900)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C36H37N3O2/c37-36-38-33-24-30(28-18-16-27(17-19-28)13-7-2-6-12-26-10-4-1-5-11-26)20-22-32(33)35(40)39(36)25-31-21-23-34(41-31)29-14-8-3-9-15-29/h1,3-5,8-11,14-20,22,24,31,34H,2,6-7,12-13,21,23,25H2,(H2,37,38)/t31-,34+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145779
PNG
(CHEMBL3765557)
Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CC(CO1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-25-27-23-14-19(17-7-3-1-4-8-17)11-12-22(23)24(29)28(25)15-21-13-20(16-30-21)18-9-5-2-6-10-18/h1-12,14,20-21H,13,15-16H2,(H2,26,27)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145182
PNG
(CHEMBL3763955)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccc2ccccc2c1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H25N3O2/c30-29-31-26-17-22(19-6-2-1-3-7-19)12-14-25(26)28(33)32(29)18-24-13-15-27(34-24)23-11-10-20-8-4-5-9-21(20)16-23/h1-12,14,16-17,24,27H,13,15,18H2,(H2,30,31)/t24-,27+/m0/s1
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n/an/a 1.95E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50139142
PNG
(CHEMBL3764405)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23+/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50139142
PNG
(CHEMBL3764405)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23+/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145781
PNG
(CHEMBL3764629)
Show SMILES Nc1ccc(cc1)-c1cn2ccsc2n1
Show InChI InChI=1S/C11H9N3S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-7H,12H2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145188
PNG
(CHEMBL3765202)
Show SMILES Cc1[nH]nc(Nc2ccccc2)c1N
Show InChI InChI=1S/C10H12N4/c1-7-9(11)10(14-13-7)12-8-5-3-2-4-6-8/h2-6H,11H2,1H3,(H2,12,13,14)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM42856
PNG
(2-(2-thenoylamino)thiophene-3-carboxamide | 2-(thi...)
Show SMILES NC(=O)c1ccsc1NC(=O)c1cccs1
Show InChI InChI=1S/C10H8N2O2S2/c11-8(13)6-3-5-16-10(6)12-9(14)7-2-1-4-15-7/h1-5H,(H2,11,13)(H,12,14)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50139144
PNG
(CHEMBL3764172)
Show SMILES Nc1nc2ccccc2c(=O)n1CC1CCCO1
Show InChI InChI=1S/C13H15N3O2/c14-13-15-11-6-2-1-5-10(11)12(17)16(13)8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2,(H2,14,15)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145769
PNG
(CHEMBL3765209)
Show SMILES CNC(=O)C1CCC(CC1)c1nsc2ccccc12 |(3.56,-9.32,;3.09,-8.18,;4.02,-6.96,;5.25,-7.12,;3.43,-5.54,;4.37,-4.31,;3.77,-2.89,;2.24,-2.7,;1.31,-3.92,;1.91,-5.34,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Show InChI InChI=1S/C15H18N2OS/c1-16-15(18)11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)19-17-14/h2-5,10-11H,6-9H2,1H3,(H,16,18)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145782
PNG
(CHEMBL1178994)
Show SMILES NC(=N)N\N=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C9H10N4O2/c10-9(11)13-12-4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H4,10,11,13)/b12-4+
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145679
PNG
(CHEMBL3763552)
Show SMILES OC1CN(C1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145776
PNG
(CHEMBL3764193)
Show SMILES CC(C)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C10H15NO2S/c1-9(2)11-14(12,13)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145185
PNG
(CHEMBL3764748)
Show SMILES NCC(O)CNc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C9H12ClN3O3/c10-8-3-6(13(15)16)1-2-9(8)12-5-7(14)4-11/h1-3,7,12,14H,4-5,11H2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50139145
PNG
(CHEMBL1370160)
Show SMILES Cc1ccc(C)n1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C13H14N2O2/c1-9-3-4-10(2)15(9)14-13(17)11-5-7-12(16)8-6-11/h3-8,16H,1-2H3,(H,14,17)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145777
PNG
(CHEMBL3764953)
Show SMILES CC(C)[C@H]1CC[C@@H](Cn2c(N)nc3cc(ccc3c2=O)-c2ccccc2)O1 |r|
Show InChI InChI=1S/C22H25N3O2/c1-14(2)20-11-9-17(27-20)13-25-21(26)18-10-8-16(12-19(18)24-22(25)23)15-6-4-3-5-7-15/h3-8,10,12,14,17,20H,9,11,13H2,1-2H3,(H2,23,24)/t17-,20+/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)		BDBM50145183
PNG
(CHEMBL3763489)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C35H35N3O2/c36-35-37-32-23-29(27-17-15-26(16-18-27)12-8-7-11-25-9-3-1-4-10-25)19-21-31(32)34(39)38(35)24-30-20-22-33(40-30)28-13-5-2-6-14-28/h1-6,9-10,13-19,21,23,30,33H,7-8,11-12,20,22,24H2,(H2,36,37)/t30-,33+/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145186
PNG
(CHEMBL3763900)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C36H37N3O2/c37-36-38-33-24-30(28-18-16-27(17-19-28)13-7-2-6-12-26-10-4-1-5-11-26)20-22-32(33)35(40)39(36)25-31-21-23-34(41-31)29-14-8-3-9-15-29/h1,3-5,8-11,14-20,22,24,31,34H,2,6-7,12-13,21,23,25H2,(H2,37,38)/t31-,34+/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145186
PNG
(CHEMBL3763900)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C36H37N3O2/c37-36-38-33-24-30(28-18-16-27(17-19-28)13-7-2-6-12-26-10-4-1-5-11-26)20-22-32(33)35(40)39(36)25-31-21-23-34(41-31)29-14-8-3-9-15-29/h1,3-5,8-11,14-20,22,24,31,34H,2,6-7,12-13,21,23,25H2,(H2,37,38)/t31-,34+/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50145779
PNG
(CHEMBL3765557)
Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CC(CO1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-25-27-23-14-19(17-7-3-1-4-8-17)11-12-22(23)24(29)28(25)15-21-13-20(16-30-21)18-9-5-2-6-10-18/h1-12,14,20-21H,13,15-16H2,(H2,26,27)
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n/an/a 5.20E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


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

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50139143
PNG
(CHEMBL3764744)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CCCO1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O2/c20-19-21-17-11-14(13-5-2-1-3-6-13)8-9-16(17)18(23)22(19)12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H2,20,21)/t15-/m0/s1
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n/an/a 5.34E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145183
PNG
(CHEMBL3763489)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C35H35N3O2/c36-35-37-32-23-29(27-17-15-26(16-18-27)12-8-7-11-25-9-3-1-4-10-25)19-21-31(32)34(39)38(35)24-30-20-22-33(40-30)28-13-5-2-6-14-28/h1-6,9-10,13-19,21,23,30,33H,7-8,11-12,20,22,24H2,(H2,36,37)/t30-,33+/m0/s1
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n/an/a 9.10E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145783
PNG
(CHEMBL3764738)
Show SMILES CC(C)CCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C30H33N3O2/c1-20(2)8-9-21-10-12-22(13-11-21)24-14-16-26-27(18-24)32-30(31)33(29(26)34)19-25-15-17-28(35-25)23-6-4-3-5-7-23/h3-7,10-14,16,18,20,25,28H,8-9,15,17,19H2,1-2H3,(H2,31,32)/t25-,28+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145785
PNG
(CHEMBL3764518)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCC2CCCCC2)cc1 |r|
Show InChI InChI=1S/C33H37N3O2/c34-33-35-30-21-27(25-15-13-24(14-16-25)12-11-23-7-3-1-4-8-23)17-19-29(30)32(37)36(33)22-28-18-20-31(38-28)26-9-5-2-6-10-26/h2,5-6,9-10,13-17,19,21,23,28,31H,1,3-4,7-8,11-12,18,20,22H2,(H2,34,35)/t28-,31+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145779
PNG
(CHEMBL3765557)
Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CC(CO1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-25-27-23-14-19(17-7-3-1-4-8-17)11-12-22(23)24(29)28(25)15-21-13-20(16-30-21)18-9-5-2-6-10-18/h1-12,14,20-21H,13,15-16H2,(H2,26,27)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50145787
PNG
(CHEMBL3763442)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C33H31N3O2/c34-33-35-30-21-27(25-15-13-24(14-16-25)12-11-23-7-3-1-4-8-23)17-19-29(30)32(37)36(33)22-28-18-20-31(38-28)26-9-5-2-6-10-26/h1-10,13-17,19,21,28,31H,11-12,18,20,22H2,(H2,34,35)/t28-,31+/m0/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...

J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%