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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50043907   
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
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448248
PNG
(CHEMBL3120847)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O6/c27-15-22(29)20(12-11-17-7-3-1-4-8-17)25-23(30)21-13-19(28)14-26(21)24(31)32-16-18-9-5-2-6-10-18/h1-10,19-21,27-28H,11-16H2,(H,25,30)/t19-,20+,21+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448248
PNG
(CHEMBL3120847)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O6/c27-15-22(29)20(12-11-17-7-3-1-4-8-17)25-23(30)21-13-19(28)14-26(21)24(31)32-16-18-9-5-2-6-10-18/h1-10,19-21,27-28H,11-16H2,(H,25,30)/t19-,20+,21+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448247
PNG
(CHEMBL3120848)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1 |r|
Show InChI InChI=1S/C33H38N2O5S/c36-28-21-30(35(22-28)33(39)40-23-27-15-8-3-9-16-27)32(38)34-29(19-18-26-13-6-2-7-14-26)31(37)24-41-20-10-17-25-11-4-1-5-12-25/h1-9,11-16,28-30,36H,10,17-24H2,(H,34,38)/t28-,29+,30+/m1/s1
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n/an/a 520n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448261
PNG
(CHEMBL3120834)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H32N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-6,9-12,21-23,29H,7-8,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23+/m1/s1
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n/an/a 540n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448260
PNG
(CHEMBL3120835)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H32N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-6,9-12,21-23,29H,7-8,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448247
PNG
(CHEMBL3120848)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1 |r|
Show InChI InChI=1S/C33H38N2O5S/c36-28-21-30(35(22-28)33(39)40-23-27-15-8-3-9-16-27)32(38)34-29(19-18-26-13-6-2-7-14-26)31(37)24-41-20-10-17-25-11-4-1-5-12-25/h1-9,11-16,28-30,36H,10,17-24H2,(H,34,38)/t28-,29+,30+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448253
PNG
(CHEMBL3120842)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H30N2O5S/c28-17-22(29)21(12-11-19-7-3-1-4-8-19)26-23(30)25(13-15-33-16-14-25)27-24(31)32-18-20-9-5-2-6-10-20/h1-10,21,28H,11-18H2,(H,26,30)(H,27,31)/t21-/m0/s1
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n/an/a 3.25E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448246
PNG
(CHEMBL3120849)
Show SMILES CC(=O)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H30N2O6S/c1-18(29)35-17-24(31)22(13-12-19-8-4-2-5-9-19)27-25(32)23-14-21(30)15-28(23)26(33)34-16-20-10-6-3-7-11-20/h2-11,21-23,30H,12-17H2,1H3,(H,27,32)/t21-,22+,23+/m1/s1
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n/an/a 3.56E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448260
PNG
(CHEMBL3120835)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H32N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-6,9-12,21-23,29H,7-8,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23-/m0/s1
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n/an/a 4.42E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448261
PNG
(CHEMBL3120834)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H32N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-6,9-12,21-23,29H,7-8,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23+/m1/s1
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n/an/a 5.52E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448253
PNG
(CHEMBL3120842)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H30N2O5S/c28-17-22(29)21(12-11-19-7-3-1-4-8-19)26-23(30)25(13-15-33-16-14-25)27-24(31)32-18-20-9-5-2-6-10-20/h1-10,21,28H,11-18H2,(H,26,30)(H,27,31)/t21-/m0/s1
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n/an/a 8.22E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448251
PNG
(CHEMBL3120844)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O5/c32-20-27(33)25(18-16-22-10-4-1-5-11-22)30-28(34)26(19-17-23-12-6-2-7-13-23)31-29(35)36-21-24-14-8-3-9-15-24/h1-15,25-26,32H,16-21H2,(H,30,34)(H,31,35)/t25-,26-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448259
PNG
(CHEMBL3120836)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CC=CC[C@@H]1NC(=O)OCc1ccccc1 |r,c:19|
Show InChI InChI=1S/C26H30N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-12,21-23,29H,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23+/m1/s1
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n/an/a 2.02E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448258
PNG
(CHEMBL3120837)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H30N2O5/c28-16-23(29)22(15-14-18-8-3-1-4-9-18)26-24(30)20-12-7-13-21(20)27-25(31)32-17-19-10-5-2-6-11-19/h1-6,8-11,20-22,28H,7,12-17H2,(H,26,30)(H,27,31)/t20-,21+,22+/m1/s1
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n/an/a 2.39E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448249
PNG
(CHEMBL3120846)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1C2CC(C=C2)C1NC(=O)OCc1ccccc1 |r,c:21|
Show InChI InChI=1S/C27H30N2O5/c30-16-23(31)22(14-11-18-7-3-1-4-8-18)28-26(32)24-20-12-13-21(15-20)25(24)29-27(33)34-17-19-9-5-2-6-10-19/h1-10,12-13,20-22,24-25,30H,11,14-17H2,(H,28,32)(H,29,33)/t20?,21?,22-,24?,25?/m0/s1
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n/an/a 2.54E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448252
PNG
(CHEMBL3120843)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H34N2O6/c1-23(34)38-22-29(35)27(19-17-24-11-5-2-6-12-24)32-30(36)28(20-18-25-13-7-3-8-14-25)33-31(37)39-21-26-15-9-4-10-16-26/h2-16,27-28H,17-22H2,1H3,(H,32,36)(H,33,37)/t27-,28-/m0/s1
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n/an/a 2.97E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448251
PNG
(CHEMBL3120844)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O5/c32-20-27(33)25(18-16-22-10-4-1-5-11-22)30-28(34)26(19-17-23-12-6-2-7-13-23)31-29(35)36-21-24-14-8-3-9-15-24/h1-15,25-26,32H,16-21H2,(H,30,34)(H,31,35)/t25-,26-/m0/s1
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n/an/a 3.01E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448249
PNG
(CHEMBL3120846)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1C2CC(C=C2)C1NC(=O)OCc1ccccc1 |r,c:21|
Show InChI InChI=1S/C27H30N2O5/c30-16-23(31)22(14-11-18-7-3-1-4-8-18)28-26(32)24-20-12-13-21(15-20)25(24)29-27(33)34-17-19-9-5-2-6-10-19/h1-10,12-13,20-22,24-25,30H,11,14-17H2,(H,28,32)(H,29,33)/t20?,21?,22-,24?,25?/m0/s1
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n/an/a 3.36E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448254
PNG
(CHEMBL3120841)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O6S/c1-20(30)34-19-24(31)23(13-12-21-8-4-2-5-9-21)28-25(32)27(14-16-36-17-15-27)29-26(33)35-18-22-10-6-3-7-11-22/h2-11,23H,12-19H2,1H3,(H,28,32)(H,29,33)/t23-/m0/s1
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n/an/a 3.39E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448264
PNG
(CHEMBL3120831)
Show SMILES CC(=O)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H30N2O5S/c1-19(29)34-18-24(30)22(15-14-20-9-4-2-5-10-20)27-25(31)23-13-8-16-28(23)26(32)33-17-21-11-6-3-7-12-21/h2-7,9-12,22-23H,8,13-18H2,1H3,(H,27,31)/t22-,23-/m0/s1
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n/an/a 3.64E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448255
PNG
(CHEMBL3120840)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCC(=O)CC1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H30N2O6/c29-17-23(31)22(12-11-19-7-3-1-4-8-19)27-24(32)26(15-13-21(30)14-16-26)28-25(33)34-18-20-9-5-2-6-10-20/h1-10,22,29H,11-18H2,(H,27,32)(H,28,33)/t22-/m0/s1
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n/an/a 4.72E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448265
PNG
(CHEMBL3120830)
Show SMILES O=C(CSCCCc1ccccc1)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H38N2O4S/c36-31(25-40-23-11-18-26-12-4-1-5-13-26)29(21-20-27-14-6-2-7-15-27)34-32(37)30-19-10-22-35(30)33(38)39-24-28-16-8-3-9-17-28/h1-9,12-17,29-30H,10-11,18-25H2,(H,34,37)/t29-,30-/m0/s1
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n/an/a 4.81E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448266
PNG
(CHEMBL3120829)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O5/c27-16-22(28)20(14-13-18-8-3-1-4-9-18)25-23(29)21-12-7-15-26(21)24(30)31-17-19-10-5-2-6-11-19/h1-6,8-11,20-21,27H,7,12-17H2,(H,25,29)/t20-,21-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448264
PNG
(CHEMBL3120831)
Show SMILES CC(=O)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H30N2O5S/c1-19(29)34-18-24(30)22(15-14-20-9-4-2-5-10-20)27-25(31)23-13-8-16-28(23)26(32)33-17-21-11-6-3-7-12-21/h2-7,9-12,22-23H,8,13-18H2,1H3,(H,27,31)/t22-,23-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448262
PNG
(CHEMBL3120833)
Show SMILES CC1(C)OC[C@H](N1C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO |r|
Show InChI InChI=1S/C25H30N2O6/c1-25(2)27(24(31)32-16-19-11-7-4-8-12-19)21(17-33-25)23(30)26-20(22(29)15-28)14-13-18-9-5-3-6-10-18/h3-12,20-21,28H,13-17H2,1-2H3,(H,26,30)/t20-,21-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448263
PNG
(CHEMBL3120832)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1COC(C)(C)N1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O7/c1-19(30)34-18-24(31)22(15-14-20-10-6-4-7-11-20)28-25(32)23-17-36-27(2,3)29(23)26(33)35-16-21-12-8-5-9-13-21/h4-13,22-23H,14-18H2,1-3H3,(H,28,32)/t22-,23-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448258
PNG
(CHEMBL3120837)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H30N2O5/c28-16-23(29)22(15-14-18-8-3-1-4-9-18)26-24(30)20-12-7-13-21(20)27-25(31)32-17-19-10-5-2-6-11-19/h1-6,8-11,20-22,28H,7,12-17H2,(H,26,30)(H,27,31)/t20-,21+,22+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448259
PNG
(CHEMBL3120836)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CC=CC[C@@H]1NC(=O)OCc1ccccc1 |r,c:19|
Show InChI InChI=1S/C26H30N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-12,21-23,29H,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448257
PNG
(CHEMBL3120838)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H32N2O6/c1-22(34)38-21-29(35)27(17-16-23-10-4-2-5-11-23)32-30(36)28-18-25-14-8-9-15-26(25)19-33(28)31(37)39-20-24-12-6-3-7-13-24/h2-15,27-28H,16-21H2,1H3,(H,32,36)/t27-,28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448256
PNG
(CHEMBL3120839)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H30N2O5/c32-19-27(33)25(16-15-21-9-3-1-4-10-21)30-28(34)26-17-23-13-7-8-14-24(23)18-31(26)29(35)36-20-22-11-5-2-6-12-22/h1-14,25-26,32H,15-20H2,(H,30,34)/t25-,26-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448255
PNG
(CHEMBL3120840)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCC(=O)CC1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H30N2O6/c29-17-23(31)22(12-11-19-7-3-1-4-8-19)27-24(32)26(15-13-21(30)14-16-26)28-25(33)34-18-20-9-5-2-6-10-20/h1-10,22,29H,11-18H2,(H,27,32)(H,28,33)/t22-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448250
PNG
(CHEMBL3120845)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1C2CC(C=C2)C1NC(=O)OCc1ccccc1 |r,c:24|
Show InChI InChI=1S/C29H32N2O6/c1-19(32)36-18-25(33)24(15-12-20-8-4-2-5-9-20)30-28(34)26-22-13-14-23(16-22)27(26)31-29(35)37-17-21-10-6-3-7-11-21/h2-11,13-14,22-24,26-27H,12,15-18H2,1H3,(H,30,34)(H,31,35)/t22?,23?,24-,26?,27?/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448246
PNG
(CHEMBL3120849)
Show SMILES CC(=O)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H30N2O6S/c1-18(29)35-17-24(31)22(13-12-19-8-4-2-5-9-19)27-25(32)23-14-21(30)15-28(23)26(33)34-16-20-10-6-3-7-11-20/h2-11,21-23,30H,12-17H2,1H3,(H,27,32)/t21-,22+,23+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448245
PNG
(CHEMBL3120850)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CN1CCOCC1 |r|
Show InChI InChI=1S/C28H35N3O6/c32-23-17-25(31(18-23)28(35)37-20-22-9-5-2-6-10-22)27(34)29-24(12-11-21-7-3-1-4-8-21)26(33)19-30-13-15-36-16-14-30/h1-10,23-25,32H,11-20H2,(H,29,34)/t23-,24+,25+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448265
PNG
(CHEMBL3120830)
Show SMILES O=C(CSCCCc1ccccc1)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H38N2O4S/c36-31(25-40-23-11-18-26-12-4-1-5-13-26)29(21-20-27-14-6-2-7-15-27)34-32(37)30-19-10-22-35(30)33(38)39-24-28-16-8-3-9-17-28/h1-9,12-17,29-30H,10-11,18-25H2,(H,34,37)/t29-,30-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448263
PNG
(CHEMBL3120832)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1COC(C)(C)N1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O7/c1-19(30)34-18-24(31)22(15-14-20-10-6-4-7-11-20)28-25(32)23-17-36-27(2,3)29(23)26(33)35-16-21-12-8-5-9-13-21/h4-13,22-23H,14-18H2,1-3H3,(H,28,32)/t22-,23-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448262
PNG
(CHEMBL3120833)
Show SMILES CC1(C)OC[C@H](N1C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO |r|
Show InChI InChI=1S/C25H30N2O6/c1-25(2)27(24(31)32-16-19-11-7-4-8-12-19)21(17-33-25)23(30)26-20(22(29)15-28)14-13-18-9-5-3-6-10-18/h3-12,20-21,28H,13-17H2,1-2H3,(H,26,30)/t20-,21-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448257
PNG
(CHEMBL3120838)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H32N2O6/c1-22(34)38-21-29(35)27(17-16-23-10-4-2-5-11-23)32-30(36)28-18-25-14-8-9-15-26(25)19-33(28)31(37)39-20-24-12-6-3-7-13-24/h2-15,27-28H,16-21H2,1H3,(H,32,36)/t27-,28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448256
PNG
(CHEMBL3120839)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H30N2O5/c32-19-27(33)25(16-15-21-9-3-1-4-10-21)30-28(34)26-17-23-13-7-8-14-24(23)18-31(26)29(35)36-20-22-11-5-2-6-12-22/h1-14,25-26,32H,15-20H2,(H,30,34)/t25-,26-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448254
PNG
(CHEMBL3120841)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O6S/c1-20(30)34-19-24(31)23(13-12-21-8-4-2-5-9-21)28-25(32)27(14-16-36-17-15-27)29-26(33)35-18-22-10-6-3-7-11-22/h2-11,23H,12-19H2,1H3,(H,28,32)(H,29,33)/t23-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448252
PNG
(CHEMBL3120843)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H34N2O6/c1-23(34)38-22-29(35)27(19-17-24-11-5-2-6-12-24)32-30(36)28(20-18-25-13-7-3-8-14-25)33-31(37)39-21-26-15-9-4-10-16-26/h2-16,27-28H,17-22H2,1H3,(H,32,36)(H,33,37)/t27-,28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448250
PNG
(CHEMBL3120845)
Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1C2CC(C=C2)C1NC(=O)OCc1ccccc1 |r,c:24|
Show InChI InChI=1S/C29H32N2O6/c1-19(32)36-18-25(33)24(15-12-20-8-4-2-5-9-20)30-28(34)26-22-13-14-23(16-22)27(26)31-29(35)37-17-21-10-6-3-7-11-21/h2-11,13-14,22-24,26-27H,12,15-18H2,1H3,(H,30,34)(H,31,35)/t22?,23?,24-,26?,27?/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448245
PNG
(CHEMBL3120850)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CN1CCOCC1 |r|
Show InChI InChI=1S/C28H35N3O6/c32-23-17-25(31(18-23)28(35)37-20-22-9-5-2-6-10-22)27(34)29-24(12-11-21-7-3-1-4-8-21)26(33)19-30-13-15-36-16-14-30/h1-10,23-25,32H,11-20H2,(H,29,34)/t23-,24+,25+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448266
PNG
(CHEMBL3120829)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O5/c27-16-22(28)20(14-13-18-8-3-1-4-9-18)25-23(29)21-12-7-15-26(21)24(30)31-17-19-10-5-2-6-11-19/h1-6,8-11,20-21,27H,7,12-17H2,(H,25,29)/t20-,21-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair