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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50033090   
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
Falcipain-2


(Plasmodium falciparum)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 112n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339249
PNG
((Z/E)-(S)-2-((7-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2c1cccc2Cl |r,w:14.14|
Show InChI InChI=1S/C20H28ClN3O2/c1-12(2)8-9-22-20(26)17(10-13(3)4)23-11-15-14-6-5-7-16(21)18(14)24-19(15)25/h5-7,11-13,15,17H,8-10H2,1-4H3,(H,22,26)(H,24,25)/t15?,17-/m0/s1
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n/an/a 4.21E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339250
PNG
((Z/E)-(S)-2-((5-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1ccccc1)N=CC1C(=O)Nc2ccc(Cl)cc12 |r,w:17.18|
Show InChI InChI=1S/C23H26ClN3O2/c1-15(2)10-11-25-23(29)21(12-16-6-4-3-5-7-16)26-14-19-18-13-17(24)8-9-20(18)27-22(19)28/h3-9,13-15,19,21H,10-12H2,1-2H3,(H,25,29)(H,27,28)/t19?,21-/m0/s1
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n/an/a 4.33E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339251
PNG
((Z/E)-(S)-2-((7-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](CCc1ccccc1)N=CC1C(=O)Nc2c1cccc2Cl |r,w:18.19|
Show InChI InChI=1S/C24H28ClN3O2/c1-16(2)13-14-26-24(30)21(12-11-17-7-4-3-5-8-17)27-15-19-18-9-6-10-20(25)22(18)28-23(19)29/h3-10,15-16,19,21H,11-14H2,1-2H3,(H,26,30)(H,28,29)/t19?,21-/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339252
PNG
((Z/E)-(S)-2-((5-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2ccc(Cl)cc12 |r,w:14.14|
Show InChI InChI=1S/C20H28ClN3O2/c1-12(2)7-8-22-20(26)18(9-13(3)4)23-11-16-15-10-14(21)5-6-17(15)24-19(16)25/h5-6,10-13,16,18H,7-9H2,1-4H3,(H,22,26)(H,24,25)/t16?,18-/m0/s1
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n/an/a 4.41E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339253
PNG
((Z/E)-(S)-2-((6-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2cc(Cl)ccc12 |r,w:14.14|
Show InChI InChI=1S/C20H28ClN3O2/c1-12(2)7-8-22-20(26)18(9-13(3)4)23-11-16-15-6-5-14(21)10-17(15)24-19(16)25/h5-6,10-13,16,18H,7-9H2,1-4H3,(H,22,26)(H,24,25)/t16?,18-/m0/s1
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n/an/a 4.85E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339254
PNG
((Z/E)-(S)-N-isopentyl-2-((2-oxoindolin-3-ylidene)m...)
Show SMILES CC(C)CCNC(=O)[C@H](CCc1ccccc1)N=CC1C(=O)Nc2ccccc12 |r,w:18.19|
Show InChI InChI=1S/C24H29N3O2/c1-17(2)14-15-25-24(29)22(13-12-18-8-4-3-5-9-18)26-16-20-19-10-6-7-11-21(19)27-23(20)28/h3-11,16-17,20,22H,12-15H2,1-2H3,(H,25,29)(H,27,28)/t20?,22-/m0/s1
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n/an/a 4.99E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50339254
PNG
((Z/E)-(S)-N-isopentyl-2-((2-oxoindolin-3-ylidene)m...)
Show SMILES CC(C)CCNC(=O)[C@H](CCc1ccccc1)N=CC1C(=O)Nc2ccccc12 |r,w:18.19|
Show InChI InChI=1S/C24H29N3O2/c1-17(2)14-15-25-24(29)22(13-12-18-8-4-3-5-9-18)26-16-20-19-10-6-7-11-21(19)27-23(20)28/h3-11,16-17,20,22H,12-15H2,1-2H3,(H,25,29)(H,27,28)/t20?,22-/m0/s1
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339264
PNG
((Z/E)-(S)-N-isopentyl-4-methyl-2-((2-oxoindolin-3-...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2ccccc12 |r,w:14.14|
Show InChI InChI=1S/C20H29N3O2/c1-13(2)9-10-21-20(25)18(11-14(3)4)22-12-16-15-7-5-6-8-17(15)23-19(16)24/h5-8,12-14,16,18H,9-11H2,1-4H3,(H,21,25)(H,23,24)/t16?,18-/m0/s1
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339265
PNG
((Z/E)-(S)-N-isopentyl-4-methyl-2-((1-methyl-2-oxoi...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)N(C)c2ccccc12 |r,w:14.14|
Show InChI InChI=1S/C21H31N3O2/c1-14(2)10-11-22-20(25)18(12-15(3)4)23-13-17-16-8-6-7-9-19(16)24(5)21(17)26/h6-9,13-15,17-18H,10-12H2,1-5H3,(H,22,25)/t17?,18-/m0/s1
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339266
PNG
((Z/E)-N-isopentyl-2-((2-oxoindolin-3-ylidene)methy...)
Show SMILES CC(C)CCNC(=O)CN=CC1C(=O)Nc2ccccc12 |w:10.10|
Show InChI InChI=1S/C16H21N3O2/c1-11(2)7-8-18-15(20)10-17-9-13-12-5-3-4-6-14(12)19-16(13)21/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,18,20)(H,19,21)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339267
PNG
((Z/E)-3-((3-(7-chloroquinolin-4-ylamino)propylamin...)
Show SMILES Clc1ccc2c(NCCCN=CC3C(=O)Nc4ccccc34)ccnc2c1 |w:11.11|
Show InChI InChI=1S/C21H19ClN4O/c22-14-6-7-16-18(8-11-25-20(16)12-14)24-10-3-9-23-13-17-15-4-1-2-5-19(15)26-21(17)27/h1-2,4-8,11-13,17H,3,9-10H2,(H,24,25)(H,26,27)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339268
PNG
((Z/E)-5-chloro-3-((3-(7-chloroquinolin-4-ylamino)p...)
Show SMILES Clc1ccc2NC(=O)C(C=NCCCNc3ccnc4cc(Cl)ccc34)c2c1 |w:9.8|
Show InChI InChI=1S/C21H18Cl2N4O/c22-13-3-5-19-16(10-13)17(21(28)27-19)12-24-7-1-8-25-18-6-9-26-20-11-14(23)2-4-15(18)20/h2-6,9-12,17H,1,7-8H2,(H,25,26)(H,27,28)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339269
PNG
((Z/E)-6-chloro-3-((3-(7-chloroquinolin-4-ylamino)p...)
Show SMILES Clc1ccc2C(C=NCCCNc3ccnc4cc(Cl)ccc34)C(=O)Nc2c1 |w:6.5|
Show InChI InChI=1S/C21H18Cl2N4O/c22-13-3-5-16-18(6-9-26-19(16)10-13)25-8-1-7-24-12-17-15-4-2-14(23)11-20(15)27-21(17)28/h2-6,9-12,17H,1,7-8H2,(H,25,26)(H,27,28)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339270
PNG
((Z/E)-7-chloro-3-((3-(7-chloroquinolin-4-ylamino)p...)
Show SMILES Clc1ccc2c(NCCCN=CC3C(=O)Nc4c3cccc4Cl)ccnc2c1 |w:11.11|
Show InChI InChI=1S/C21H18Cl2N4O/c22-13-5-6-15-18(7-10-26-19(15)11-13)25-9-2-8-24-12-16-14-3-1-4-17(23)20(14)27-21(16)28/h1,3-7,10-12,16H,2,8-9H2,(H,25,26)(H,27,28)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339271
PNG
((Z/E)-3-((3-(7-chloroquinolin-4-ylamino)propylamin...)
Show SMILES CN1C(=O)C(C=NCCCNc2ccnc3cc(Cl)ccc23)c2ccccc12 |w:5.4|
Show InChI InChI=1S/C22H21ClN4O/c1-27-21-6-3-2-5-16(21)18(22(27)28)14-24-10-4-11-25-19-9-12-26-20-13-15(23)7-8-17(19)20/h2-3,5-9,12-14,18H,4,10-11H2,1H3,(H,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50339264
PNG
((Z/E)-(S)-N-isopentyl-4-methyl-2-((2-oxoindolin-3-...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2ccccc12 |r,w:14.14|
Show InChI InChI=1S/C20H29N3O2/c1-13(2)9-10-21-20(25)18(11-14(3)4)22-12-16-15-7-5-6-8-17(15)23-19(16)24/h5-8,12-14,16,18H,9-11H2,1-4H3,(H,21,25)(H,23,24)/t16?,18-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50339252
PNG
((Z/E)-(S)-2-((5-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2ccc(Cl)cc12 |r,w:14.14|
Show InChI InChI=1S/C20H28ClN3O2/c1-12(2)7-8-22-20(26)18(9-13(3)4)23-11-16-15-10-14(21)5-6-17(15)24-19(16)25/h5-6,10-13,16,18H,7-9H2,1-4H3,(H,22,26)(H,24,25)/t16?,18-/m0/s1
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50339253
PNG
((Z/E)-(S)-2-((6-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2cc(Cl)ccc12 |r,w:14.14|
Show InChI InChI=1S/C20H28ClN3O2/c1-12(2)7-8-22-20(26)18(9-13(3)4)23-11-16-15-6-5-14(21)10-17(15)24-19(16)25/h5-6,10-13,16,18H,7-9H2,1-4H3,(H,22,26)(H,24,25)/t16?,18-/m0/s1
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50339249
PNG
((Z/E)-(S)-2-((7-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2c1cccc2Cl |r,w:14.14|
Show InChI InChI=1S/C20H28ClN3O2/c1-12(2)8-9-22-20(26)17(10-13(3)4)23-11-15-14-6-5-7-16(21)18(14)24-19(15)25/h5-7,11-13,15,17H,8-10H2,1-4H3,(H,22,26)(H,24,25)/t15?,17-/m0/s1
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50339265
PNG
((Z/E)-(S)-N-isopentyl-4-methyl-2-((1-methyl-2-oxoi...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)N(C)c2ccccc12 |r,w:14.14|
Show InChI InChI=1S/C21H31N3O2/c1-14(2)10-11-22-20(25)18(12-15(3)4)23-13-17-16-8-6-7-9-19(16)24(5)21(17)26/h6-9,13-15,17-18H,10-12H2,1-5H3,(H,22,25)/t17?,18-/m0/s1
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50339266
PNG
((Z/E)-N-isopentyl-2-((2-oxoindolin-3-ylidene)methy...)
Show SMILES CC(C)CCNC(=O)CN=CC1C(=O)Nc2ccccc12 |w:10.10|
Show InChI InChI=1S/C16H21N3O2/c1-11(2)7-8-18-15(20)10-17-9-13-12-5-3-4-6-14(12)19-16(13)21/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,18,20)(H,19,21)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50339250
PNG
((Z/E)-(S)-2-((5-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1ccccc1)N=CC1C(=O)Nc2ccc(Cl)cc12 |r,w:17.18|
Show InChI InChI=1S/C23H26ClN3O2/c1-15(2)10-11-25-23(29)21(12-16-6-4-3-5-7-16)26-14-19-18-13-17(24)8-9-20(18)27-22(19)28/h3-9,13-15,19,21H,10-12H2,1-2H3,(H,25,29)(H,27,28)/t19?,21-/m0/s1
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50339251
PNG
((Z/E)-(S)-2-((7-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](CCc1ccccc1)N=CC1C(=O)Nc2c1cccc2Cl |r,w:18.19|
Show InChI InChI=1S/C24H28ClN3O2/c1-16(2)13-14-26-24(30)21(12-11-17-7-4-3-5-8-17)27-15-19-18-9-6-10-20(25)22(18)28-23(19)29/h3-10,15-16,19,21H,11-14H2,1-2H3,(H,26,30)(H,28,29)/t19?,21-/m0/s1
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339262
PNG
((Z/E)-ethyl 2-((2-oxoindolin-3-ylidene)methylamino...)
Show SMILES CCOC(=O)CN=CC1C(=O)Nc2ccccc12 |w:7.7|
Show InChI InChI=1S/C13H14N2O3/c1-2-18-12(16)8-14-7-10-9-5-3-4-6-11(9)15-13(10)17/h3-7,10H,2,8H2,1H3,(H,15,17)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339261
PNG
(3-((phenylamino)methylene)indolin-2-one | CHEMBL16...)
Show SMILES O=C1Nc2ccccc2C1C=Nc1ccccc1 |w:10.11|
Show InChI InChI=1S/C15H12N2O/c18-15-13(10-16-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10,13H,(H,17,18)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339260
PNG
((Z/E)-3-(benzylthiomethylene)indolin-2-one | CHEMB...)
Show SMILES O=C1Nc2ccccc2C1=CSCc1ccccc1 |w:10.12|
Show InChI InChI=1S/C16H13NOS/c18-16-14(13-8-4-5-9-15(13)17-16)11-19-10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,17,18)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339259
PNG
((Z/E)-3-((dimethylamino)methylene)-1-methylindolin...)
Show SMILES CN(C)C=C1C(=O)N(C)c2ccccc12 |w:3.2|
Show InChI InChI=1S/C12H14N2O/c1-13(2)8-10-9-6-4-5-7-11(9)14(3)12(10)15/h4-8H,1-3H3
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339258
PNG
((Z/E)-7-chloro-3-((dimethylamino)methylene)indolin...)
Show SMILES CN(C)C=C1C(=O)Nc2c1cccc2Cl |w:3.2|
Show InChI InChI=1S/C11H11ClN2O/c1-14(2)6-8-7-4-3-5-9(12)10(7)13-11(8)15/h3-6H,1-2H3,(H,13,15)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339257
PNG
((Z/E)-6-chloro-3-((dimethylamino)methylene)indolin...)
Show SMILES CN(C)C=C1C(=O)Nc2cc(Cl)ccc12 |w:3.2|
Show InChI InChI=1S/C11H11ClN2O/c1-14(2)6-9-8-4-3-7(12)5-10(8)13-11(9)15/h3-6H,1-2H3,(H,13,15)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339256
PNG
((Z/E)-5-chloro-3-((dimethylamino)methylene)indolin...)
Show SMILES CN(C)C=C1C(=O)Nc2ccc(Cl)cc12 |w:3.2|
Show InChI InChI=1S/C11H11ClN2O/c1-14(2)6-9-8-5-7(12)3-4-10(8)13-11(9)15/h3-6H,1-2H3,(H,13,15)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339255
PNG
((Z/E)-3-(N,N-Dimethylaminomethylene)indolin-2-one ...)
Show SMILES CN(C)C=C1C(=O)Nc2ccccc12 |w:3.2|
Show InChI InChI=1S/C11H12N2O/c1-13(2)7-9-8-5-3-4-6-10(8)12-11(9)14/h3-7H,1-2H3,(H,12,14)
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339263
PNG
((Z/E)-(S)-ethyl 2-((2-oxoindolin-3-ylidene)methyla...)
Show SMILES CCOC(=O)[C@H](Cc1ccccc1)N=CC1C(=O)Nc2ccccc12 |r,w:14.15|
Show InChI InChI=1S/C20H20N2O3/c1-2-25-20(24)18(12-14-8-4-3-5-9-14)21-13-16-15-10-6-7-11-17(15)22-19(16)23/h3-11,13,16,18H,2,12H2,1H3,(H,22,23)/t16?,18-/m0/s1
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University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair