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Compile Data Set for Download or QSAR

Found 203 hits Enz. Inhib. hit(s) with Target = 'Plasmepsin I'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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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TBA

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...


Citation and Details
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
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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TBA

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...


Citation and Details
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
Show InChI InChI=1/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+/s2
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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)

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
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Show InChI InChI=1/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+/s2
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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)

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
Show InChI InChI=1/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+/s2
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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)

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
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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TBA

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...


Citation and Details
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
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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TBA

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...


Citation and Details
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
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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TBA

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...


Citation and Details
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
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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TBA

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...


Citation and Details
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
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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TBA

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...


Citation and Details
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
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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TBA

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...


Citation and Details
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
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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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...


Citation and Details
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
Show InChI InChI=1/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+/s2
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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)

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
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
Show InChI InChI=1/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+/s2
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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)

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
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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TBA

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...


Citation and Details
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
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


TBA

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...


Citation and Details
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
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


TBA

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...


Citation and Details
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
Show InChI InChI=1/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+/s2
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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)

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
Show InChI InChI=1/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+/s2
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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)

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
Show InChI InChI=1/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+/s2
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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 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)

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
Show InChI InChI=1/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+/s2
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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)

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
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


TBA

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...


Citation and Details
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
Show InChI InChI=1/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+/s2
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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)

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=1/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)

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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
Plasmepsin I


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

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...


Citation and Details
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
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50297440
PNG
(CHEMBL556236 | N,N'-((4S,5R,6R,7S)-5,6-dihydroxy-2...)
Show SMILES CC(C)C[C@H](NC(=O)CC1CCCCC1)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)CC1CCCCC1
Show InChI InChI=1S/C28H52N2O4/c1-19(2)15-23(29-25(31)17-21-11-7-5-8-12-21)27(33)28(34)24(16-20(3)4)30-26(32)18-22-13-9-6-10-14-22/h19-24,27-28,33-34H,5-18H2,1-4H3,(H,29,31)(H,30,32)/t23-,24-,27+,28+/m0/s1
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n/an/a 2.64E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 in fluorescence microplate assay


Citation and Details
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
Show InChI InChI=1/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+/s2
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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)

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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
Plasmepsin I


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


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50297438
PNG
(CHEMBL560343 | N,N'-((2S,3R,4R,5S)-3,4-dihydroxy-1...)
Show SMILES O[C@@H]([C@H](O)[C@H](Cc1ccccc1)NC(=O)CC1CCCCC1)[C@H](Cc1ccccc1)NC(=O)CC1CCCCC1
Show InChI InChI=1S/C34H48N2O4/c37-31(23-27-17-9-3-10-18-27)35-29(21-25-13-5-1-6-14-25)33(39)34(40)30(22-26-15-7-2-8-16-26)36-32(38)24-28-19-11-4-12-20-28/h1-2,5-8,13-16,27-30,33-34,39-40H,3-4,9-12,17-24H2,(H,35,37)(H,36,38)/t29-,30-,33+,34+/m0/s1
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n/an/a 4.39E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 in fluorescence microplate assay


Citation and Details
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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50139143
PNG
(CHEMBL3764744)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CCCO1)-c1ccccc1
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010847
PNG
(CHEMBL3264807)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCC1
Show InChI InChI=1S/C37H50N4O4/c1-4-17-41(18-5-2)37(44)31-23-30(24-32(25-31)40-19-10-7-11-20-40)36(43)39-34(22-28-13-8-6-9-14-28)35(42)27-38-26-29-15-12-16-33(21-29)45-3/h6,8-9,12-16,21,23-25,34-35,38,42H,4-5,7,10-11,17-20,22,26-27H2,1-3H3,(H,39,43)/t34-,35+/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a


TBA

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...


Citation and Details
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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010850
PNG
(CHEMBL3264809)
Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(N)=O)N1CCCCC1
Show InChI InChI=1S/C33H42N4O4/c1-33(2,26-13-10-14-28(21-26)41-3)35-22-30(38)29(17-23-11-6-4-7-12-23)36-32(40)25-18-24(31(34)39)19-27(20-25)37-15-8-5-9-16-37/h4,6-7,10-14,18-21,29-30,35,38H,5,8-9,15-17,22H2,1-3H3,(H2,34,39)(H,36,40)/t29-,30+/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a


TBA

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...


Citation and Details
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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50297443
PNG
(CHEMBL561885 | N,N'-((4S,5R,6R,7S)-5,6-dihydroxy-2...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)c1cccc(OC)c1
Show InChI InChI=1S/C28H40N2O6/c1-17(2)13-23(29-27(33)19-9-7-11-21(15-19)35-5)25(31)26(32)24(14-18(3)4)30-28(34)20-10-8-12-22(16-20)36-6/h7-12,15-18,23-26,31-32H,13-14H2,1-6H3,(H,29,33)(H,30,34)/t23-,24-,25+,26+/m0/s1
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n/an/a 1.65E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 in fluorescence microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010845
PNG
(CHEMBL581498 | TCMDC-138893)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C36H48N4O6S/c1-4-16-39(17-5-2)36(43)30-22-29(23-31(24-30)40-18-9-10-19-47(40,44)45)35(42)38-33(21-27-12-7-6-8-13-27)34(41)26-37-25-28-14-11-15-32(20-28)46-3/h6-8,11-15,20,22-24,33-34,37,41H,4-5,9-10,16-19,21,25-26H2,1-3H3,(H,38,42)/t33-,34+/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010855
PNG
(CHEMBL3264796)
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
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 1.80E+4n/an/an/an/an/an/a


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50297439
PNG
(CHEMBL564804 | N,N'-((4S,5R,6R,7S)-5,6-dihydroxy-2...)
Show SMILES COc1ccccc1C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)c1ccccc1OC
Show InChI InChI=1S/C28H40N2O6/c1-17(2)15-21(29-27(33)19-11-7-9-13-23(19)35-5)25(31)26(32)22(16-18(3)4)30-28(34)20-12-8-10-14-24(20)36-6/h7-14,17-18,21-22,25-26,31-32H,15-16H2,1-6H3,(H,29,33)(H,30,34)/t21-,22-,25+,26+/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 in fluorescence microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50297441
PNG
(CHEMBL556509 | N-((2S,3R,4R,5S)-3,4-dihydroxy-1,6-...)
Show SMILES Cc1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)C1CCOC1
Show InChI InChI=1S/C30H35N3O5/c1-20-12-13-23(18-31-20)29(36)32-25(16-21-8-4-2-5-9-21)27(34)28(35)26(17-22-10-6-3-7-11-22)33-30(37)24-14-15-38-19-24/h2-13,18,24-28,34-35H,14-17,19H2,1H3,(H,32,36)(H,33,37)/t24?,25-,26-,27+,28+/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 in fluorescence microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50297442
PNG
(CHEMBL555902 | N-((2S,3R,4R,5S)-5-(2-chloro-4-fluo...)
Show SMILES O[C@@H]([C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1Cl)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C34H32ClFN2O6/c35-26-20-24(36)12-13-25(26)34(42)38-28(18-22-9-5-2-6-10-22)32(40)31(39)27(17-21-7-3-1-4-8-21)37-33(41)23-11-14-29-30(19-23)44-16-15-43-29/h1-14,19-20,27-28,31-32,39-40H,15-18H2,(H,37,41)(H,38,42)/t27-,28-,31+,32+/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 in fluorescence microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50297437
PNG
(CHEMBL541232 | N,N'-((2S,3R,4R,5S)-3,4-dihydroxy-1...)
Show SMILES O[C@@H]([C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1Cl)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1Cl
Show InChI InChI=1S/C32H28Cl2F2N2O4/c33-25-17-21(35)11-13-23(25)31(41)37-27(15-19-7-3-1-4-8-19)29(39)30(40)28(16-20-9-5-2-6-10-20)38-32(42)24-14-12-22(36)18-26(24)34/h1-14,17-18,27-30,39-40H,15-16H2,(H,37,41)(H,38,42)/t27-,28-,29+,30+/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 in fluorescence microplate assay


Citation and Details
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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM50010857
PNG
(CHEMBL3264798)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC(C)(C)c1ccccc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C37H50N4O5S/c1-5-19-40(20-6-2)36(44)30-24-29(25-32(26-30)41-21-13-14-22-47(41,45)46)35(43)39-33(23-28-15-9-7-10-16-28)34(42)27-38-37(3,4)31-17-11-8-12-18-31/h7-12,15-18,24-26,33-34,38,42H,5-6,13-14,19-23,27H2,1-4H3,(H,39,43)/t33-,34-/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a


TBA

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...


Citation and Details
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=1/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)

More data for this
Ligand-Target Pair
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