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Compile Data Set for Download or QSAR

Found 91 hits of ic50 data for polymerid = 990   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Plasmepsin I


(Plasmodium falciparum)		BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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n/an/a 0.900n/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 followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50461481
PNG
(CHEMBL4225298)
Show SMILES CCCCCCCCc1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O
Show InChI InChI=1S/C24H35N3O4/c1-2-3-4-5-6-7-9-17-14-18(11-12-21(28)29)22-20(15-17)26-24(25)27(23(22)30)16-19-10-8-13-31-19/h14-15,19H,2-13,16H2,1H3,(H2,25,26)(H,28,29)
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n/an/a 20n/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 followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50461473
PNG
(CHEMBL4225824)
Show SMILES CCCCCc1ccc(cc1)-c1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O
Show InChI InChI=1S/C27H33N3O4/c1-2-3-4-6-18-8-10-19(11-9-18)21-15-20(12-13-24(31)32)25-23(16-21)29-27(28)30(26(25)33)17-22-7-5-14-34-22/h8-11,15-16,22H,2-7,12-14,17H2,1H3,(H2,28,29)(H,31,32)
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n/an/a 50n/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 followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50461473
PNG
(CHEMBL4225824)
Show SMILES CCCCCc1ccc(cc1)-c1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O
Show InChI InChI=1S/C27H33N3O4/c1-2-3-4-6-18-8-10-19(11-9-18)21-15-20(12-13-24(31)32)25-23(16-21)29-27(28)30(26(25)33)17-22-7-5-14-34-22/h8-11,15-16,22H,2-7,12-14,17H2,1H3,(H2,28,29)(H,31,32)
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n/an/a 50n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 1

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50461482
PNG
(CHEMBL4225299)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Show InChI InChI=1S/C33H39N3O2/c1-2-3-4-5-6-8-11-24-14-16-25(17-15-24)27-18-20-29-30(22-27)35-33(34)36(32(29)37)23-28-19-21-31(38-28)26-12-9-7-10-13-26/h7,9-10,12-18,20,22,28,31H,2-6,8,11,19,21,23H2,1H3,(H2,34,35)/t28-,31+/m0/s1
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n/an/a 80n/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 followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50461474
PNG
(CHEMBL4226087)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(CC1CCCO1)c2=O
Show InChI InChI=1S/C27H35N3O2/c1-2-3-4-5-6-7-9-20-11-13-21(14-12-20)22-15-16-24-25(18-22)29-27(28)30(26(24)31)19-23-10-8-17-32-23/h11-16,18,23H,2-10,17,19H2,1H3,(H2,28,29)
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n/an/a 90n/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 followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50514491
PNG
(CHEMBL4556003)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)C1C(NCc2ccc3ccccc3c2)C2CC(CNC3CCCC3)C1N2
Show InChI InChI=1S/C34H45N3O2S/c1-2-3-4-9-24-15-18-30(19-16-24)40(38,39)34-32-28(23-35-29-12-7-8-13-29)21-31(37-32)33(34)36-22-25-14-17-26-10-5-6-11-27(26)20-25/h5-6,10-11,14-20,28-29,31-37H,2-4,7-9,12-13,21-23H2,1H3
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n/an/a 100n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 1

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50514489
PNG
(CHEMBL4537622)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1)C1CCN(CCC(C)C)CC1
Show InChI InChI=1S/C33H42Cl2N2O2/c1-4-5-6-7-25-8-10-26(11-9-25)33(38)37(28-17-20-36(21-18-28)19-16-24(2)3)23-29-13-15-32(39-29)27-12-14-30(34)31(35)22-27/h8-15,22,24,28H,4-7,16-21,23H2,1-3H3
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n/an/a 104n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 1

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50514483
PNG
(CHEMBL4530972)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(o1)-c1cc(Cl)ccc1Cl)C1CCN(CCC(C)C)CC1
Show InChI InChI=1S/C33H42Cl2N2O2/c1-4-5-6-7-25-8-10-26(11-9-25)33(38)37(28-17-20-36(21-18-28)19-16-24(2)3)23-29-13-15-32(39-29)30-22-27(34)12-14-31(30)35/h8-15,22,24,28H,4-7,16-21,23H2,1-3H3
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n/an/a 113n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 1

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50514494
PNG
(CHEMBL4470715)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1)C1CCN(CCC(C)C)CC1
Show InChI InChI=1S/C38H47N3O2S/c1-4-5-6-9-29-12-16-31(17-13-29)38(43)41(34-21-24-40(25-22-34)23-20-28(2)3)27-30-14-18-33(19-15-30)39-37(42)36-26-32-10-7-8-11-35(32)44-36/h7-8,10-19,26,28,34H,4-6,9,20-25,27H2,1-3H3,(H,39,42)
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n/an/a 123n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 1

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7
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 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)		BDBM50209559
PNG
((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 1

Bioorg Med Chem 17: 5933-49 (2009)


Article DOI: 10.1016/j.bmc.2009.06.065
BindingDB Entry DOI: 10.7270/Q2S46S0X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Plasmepsin I


(Plasmodium falciparum)		BDBM50514505
PNG
(CHEMBL4516552)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 1

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7
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 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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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 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
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)		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
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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n/an/a 350n/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)		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 360n/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)		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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n/an/a 430n/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)		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 470n/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)		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)		BDBM50084660
PNG
(CHEMBL445631 | SC-5003 | {1-[1-(1-Cyclohexylmethyl...)
Show SMILES CCCCC(O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H63N3O6/c1-8-9-20-32(41)26(4)22-33(42)29(23-27-16-12-10-13-17-27)38-34(43)30(21-25(2)3)39-35(44)31(24-28-18-14-11-15-19-28)40-36(45)46-37(5,6)7/h11,14-15,18-19,25-27,29-33,41-42H,8-10,12-13,16-17,20-24H2,1-7H3,(H,38,43)(H,39,44)(H,40,45)/t26-,29+,30+,31+,32?,33+/m1/s1
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University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory concentration for Plasmodium falciparum plasmepsin-1.

J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
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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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)		BDBM50461483
PNG
(CHEMBL4226891)
Show SMILES Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H27N3O4/c33-32-34-27-18-24(20-7-3-1-4-8-20)17-26(21-11-13-23(14-12-21)31(37)38)29(27)30(36)35(32)19-25-15-16-28(39-25)22-9-5-2-6-10-22/h1-14,17-18,25,28H,15-16,19H2,(H2,33,34)(H,37,38)/t25-,28+/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 followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
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 I


(Plasmodium falciparum)		BDBM50514502
PNG
(CHEMBL1233569)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1ccc(CC(=O)OC)cc1)C1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C37H44N4O3/c1-3-4-5-6-28-7-17-33(18-8-28)37(43)41(34-19-23-40(24-20-34)27-35-38-21-22-39-35)26-30-11-15-32(16-12-30)31-13-9-29(10-14-31)25-36(42)44-2/h7-18,21-22,34H,3-6,19-20,23-27H2,1-2H3,(H,38,39)
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n/an/a 655n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 1

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7
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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n/an/a 700n/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)		BDBM50461487
PNG
(CHEMBL4228456)
Show SMILES CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(CC1CCCO1)c2=O
Show InChI InChI=1S/C24H29N3O2/c1-2-3-4-6-17-8-10-18(11-9-17)19-12-13-21-22(15-19)26-24(25)27(23(21)28)16-20-7-5-14-29-20/h8-13,15,20H,2-7,14,16H2,1H3,(H2,25,26)
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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 followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50461485
PNG
(CHEMBL4228072)
Show SMILES Nc1nc2cc(cc(CCC(O)=O)c2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1
Show InChI InChI=1S/C31H33N3O4/c32-31-33-27-19-25(23-13-11-22(12-14-23)9-4-8-21-6-2-1-3-7-21)18-24(15-16-28(35)36)29(27)30(37)34(31)20-26-10-5-17-38-26/h1-3,6-7,11-14,18-19,26H,4-5,8-10,15-17,20H2,(H2,32,33)(H,35,36)
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n/an/a 740n/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 followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
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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n/an/a 750n/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)		BDBM50507797
PNG
(CHEMBL4449824)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C41H58N4O5/c1-8-20-44(21-9-2)39(48)32-25-31(26-33(27-32)40(49)45(22-10-3)23-11-4)38(47)43-36(24-30-16-13-12-14-17-30)37(46)29-42-41(5,6)34-18-15-19-35(28-34)50-7/h12-19,25-28,36-37,42,46H,8-11,20-24,29H2,1-7H3,(H,43,47)/t36-,37+/m0/s1
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n/an/a 780n/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 followed by...

Eur J Med Chem 163: 344-352 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.068
BindingDB Entry DOI: 10.7270/Q2BV7KZK
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50507788
PNG
(CHEMBL4475791)
Show SMILES CCN(CC)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/C37H50N4O4/c1-6-40(7-2)36(44)29-22-28(23-31(24-29)41-19-12-9-13-20-41)35(43)39-33(21-27-15-10-8-11-16-27)34(42)26-38-37(3,4)30-17-14-18-32(25-30)45-5/h8,10-11,14-18,22-25,33-34,38,42H,6-7,9,12-13,19-21,26H2,1-5H3,(H,39,43)/t33-,34+/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 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...

Eur J Med Chem 163: 344-352 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.068
BindingDB Entry DOI: 10.7270/Q2BV7KZK
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)		BDBM50461475
PNG
(CHEMBL4224896)
Show SMILES Nc1nc2cc(cc(CC(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H25N3O4/c28-27-29-22-14-19(17-7-3-1-4-8-17)13-20(15-24(31)32)25(22)26(33)30(27)16-21-11-12-23(34-21)18-9-5-2-6-10-18/h1-10,13-14,21,23H,11-12,15-16H2,(H2,28,29)(H,31,32)/t21-,23+/m0/s1
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n/an/a 1.00E+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 followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50461479
PNG
(CHEMBL4229013)
Show SMILES Nc1nc2cc(cc(-c3cccc(c3)C(O)=O)c2c(=O)n1CC1CCCO1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O4/c27-26-28-22-14-19(16-6-2-1-3-7-16)13-21(17-8-4-9-18(12-17)25(31)32)23(22)24(30)29(26)15-20-10-5-11-33-20/h1-4,6-9,12-14,20H,5,10-11,15H2,(H2,27,28)(H,31,32)
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n/an/a 1.00E+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 followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50507815
PNG
(CHEMBL4449532)
Show SMILES CCCN(CCC)C(=O)c1cc(F)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C34H44FN3O4/c1-6-16-38(17-7-2)33(41)26-19-25(20-28(35)21-26)32(40)37-30(18-24-12-9-8-10-13-24)31(39)23-36-34(3,4)27-14-11-15-29(22-27)42-5/h8-15,19-22,30-31,36,39H,6-7,16-18,23H2,1-5H3,(H,37,40)/t30-,31+/m0/s1
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n/an/a 1.10E+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 followed by...

Eur J Med Chem 163: 344-352 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.068
BindingDB Entry DOI: 10.7270/Q2BV7KZK
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50514487
PNG
(CHEMBL1230705)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)N(C)c1ccncc1)C1CCN(CCC(C)C)CC1
Show InChI InChI=1S/C35H48N4O/c1-5-6-7-8-29-9-13-31(14-10-29)35(40)39(34-20-25-38(26-21-34)24-19-28(2)3)27-30-11-15-32(16-12-30)37(4)33-17-22-36-23-18-33/h9-18,22-23,28,34H,5-8,19-21,24-27H2,1-4H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 1

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50514488
PNG
(CHEMBL4543535)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(Nc2cc(C)nc3ccccc23)cc1)C1CCN(CCC(C)C)CC1
Show InChI InChI=1S/C39H50N4O/c1-5-6-7-10-31-13-17-33(18-14-31)39(44)43(35-22-25-42(26-23-35)24-21-29(2)3)28-32-15-19-34(20-16-32)41-38-27-30(4)40-37-12-9-8-11-36(37)38/h8-9,11-20,27,29,35H,5-7,10,21-26,28H2,1-4H3,(H,40,41)
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n/an/a 1.16E+3n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 1

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7
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
Plasmepsin I


(Plasmodium falciparum)		BDBM50461470
PNG
(CHEMBL4225394)
Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1
Show InChI InChI=1S/C28H29N3O2/c29-28-30-26-18-23(15-16-25(26)27(32)31(28)19-24-10-5-17-33-24)22-13-11-21(12-14-22)9-4-8-20-6-2-1-3-7-20/h1-3,6-7,11-16,18,24H,4-5,8-10,17,19H2,(H2,29,30)
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n/an/a 1.30E+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 followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
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 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)		BDBM50507795
PNG
(CHEMBL4555241)
Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCC1CC1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H48N4O4/c1-37(2,30-13-10-14-32(23-30)45-3)39-25-34(42)33(19-26-11-6-4-7-12-26)40-36(44)29-20-28(35(43)38-24-27-15-16-27)21-31(22-29)41-17-8-5-9-18-41/h4,6-7,10-14,20-23,27,33-34,39,42H,5,8-9,15-19,24-25H2,1-3H3,(H,38,43)(H,40,44)/t33-,34+/m0/s1
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n/an/a 1.80E+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 followed by...

Eur J Med Chem 163: 344-352 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.068
BindingDB Entry DOI: 10.7270/Q2BV7KZK
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50514492
PNG
(CHEMBL4435432)
Show SMILES CCCCN(CCCC)CC(O)c1cc(Cl)cc2cc(ccc12)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H30Cl3NO/c1-3-5-11-30(12-6-4-2)17-26(31)23-16-21(27)14-20-13-18(7-9-22(20)23)19-8-10-24(28)25(29)15-19/h7-10,13-16,26,31H,3-6,11-12,17H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 1

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
BindingDB Entry DOI: 10.7270/Q2RR22K7
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)		BDBM50461477
PNG
(CHEMBL4228633)
Show SMILES Nc1cccc(c1)-c1cc(cc2nc(N)n(CC3CCCO3)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C25H24N4O2/c26-19-9-4-8-17(12-19)21-13-18(16-6-2-1-3-7-16)14-22-23(21)24(30)29(25(27)28-22)15-20-10-5-11-31-20/h1-4,6-9,12-14,20H,5,10-11,15,26H2,(H2,27,28)
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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 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair
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