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Compile Data Set for Download or QSAR

Found 89 hits Enz. Inhib. hit(s) with Target = 'Cysteine protease falcipain-3'   
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 protease falcipain-3


(Plasmodium falciparum)
BDBM50243232
PNG
(CHEMBL486232 | GNF-PF-5434 | N-((S)-4-methyl-1-oxo...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



University of Algarve

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 3


Bioorg Med Chem Lett 18: 4210-4 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N
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 35n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease 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
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N
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 75n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of falcipain3


J Med Chem 49: 1576-84 (2006)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Cysteine protease falcipain-3 in Plasmodium falciparum HB3 infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis assay


Antimicrob Agents Chemother 52: 2346-54 (2008)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Cysteine protease falcipain-3 in Plasmodium falciparum HB3-leuR1 mutant infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis ass...


Antimicrob Agents Chemother 52: 2346-54 (2008)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N
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 482n/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)

More data for this
Ligand-Target Pair
Cysteine protease 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
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50448261
PNG
(CHEMBL3120834)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50448260
PNG
(CHEMBL3120835)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1
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)

More data for this
Ligand-Target Pair
Cysteine protease 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
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157752
PNG
(2-[2-(4-{[(2-carboxyphenyl)hydrazono]methyl}benzyl...)
Show SMILES OC(=O)c1ccccc1N=NCc1ccc(CN=Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C22H18N4O4/c27-21(28)17-5-1-3-7-19(17)25-23-13-15-9-11-16(12-10-15)14-24-26-20-8-4-2-6-18(20)22(29)30/h1-12H,13-14H2,(H,27,28)(H,29,30)
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157759
PNG
(CHEMBL224803 | N-(4-(1H-tetrazol-1-yl)phenyl)-2-(1...)
Show SMILES O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C16H13N9OS/c26-15(18-12-6-8-13(9-7-12)24-11-17-20-22-24)10-27-16-19-21-23-25(16)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,18,26)
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157755
PNG
(CHEMBL221833 | N'-(5-chloro-2-hydroxybenzylidene)-...)
Show SMILES Cc1cccc(NC(=O)CCC(=O)NN=Cc2cc(Cl)ccc2O)c1
Show InChI InChI=1S/C18H18ClN3O3/c1-12-3-2-4-15(9-12)21-17(24)7-8-18(25)22-20-11-13-10-14(19)5-6-16(13)23/h2-6,9-11,23H,7-8H2,1H3,(H,21,24)(H,22,25)
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157736
PNG
(3-((5-(2,3-dihydroxybenzylideneamino)naphthalen-1-...)
Show SMILES Oc1cccc(\C=N\c2cccc3c(cccc23)\N=C/c2cccc(O)c2O)c1O
Show InChI InChI=1S/C24H18N2O4/c27-21-11-1-5-15(23(21)29)13-25-19-9-3-8-18-17(19)7-4-10-20(18)26-14-16-6-2-12-22(28)24(16)30/h1-14,27-30H/b25-13-,26-14+
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157738
PNG
(4-((4-(2,4-dihydroxybenzylideneamino)-3-chlorophen...)
Show SMILES Oc1ccc(\C=N\c2ccc(\N=C\c3ccc(O)cc3O)c(Cl)c2)c(O)c1
Show InChI InChI=1S/C20H15ClN2O4/c21-17-7-14(22-10-12-1-4-15(24)8-19(12)26)3-6-18(17)23-11-13-2-5-16(25)9-20(13)27/h1-11,24-27H/b22-10+,23-11+
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50448253
PNG
(CHEMBL3120842)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157760
PNG
(CHEMBL438659 | N2',N6'-bis(2-hydroxybenzylidene)py...)
Show SMILES Oc1ccccc1C=NNC(=O)c1cccc(n1)C(=O)NN=Cc1ccccc1O
Show InChI InChI=1S/C21H17N5O4/c27-18-10-3-1-6-14(18)12-22-25-20(29)16-8-5-9-17(24-16)21(30)26-23-13-15-7-2-4-11-19(15)28/h1-13,27-28H,(H,25,29)(H,26,30)
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50183375
PNG
(CHEMBL381093 | N2,N7-bis(furan-2-ylmethyl)-9H-fluo...)
Show SMILES O=S(=O)(NCc1ccco1)c1ccc-2c(Cc3cc(ccc-23)S(=O)(=O)NCc2ccco2)c1
Show InChI InChI=1S/C23H20N2O6S2/c26-32(27,24-14-18-3-1-9-30-18)20-5-7-22-16(12-20)11-17-13-21(6-8-23(17)22)33(28,29)25-15-19-4-2-10-31-19/h1-10,12-13,24-25H,11,14-15H2
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n/an/a 1.14E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of falcipain3


J Med Chem 49: 1576-84 (2006)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157757
PNG
(CHEMBL221991 | N1-((5-((3-oxo-5,6-dihydroimidazo[2...)
Show SMILES O=C(NCc1ccc(\C=c2\sc3=NCCn3c2=O)o1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H16N4O4S/c24-16(17(25)22-12-4-2-1-3-5-12)21-11-14-7-6-13(27-14)10-15-18(26)23-9-8-20-19(23)28-15/h1-7,10H,8-9,11H2,(H,21,24)(H,22,25)/b15-10+
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n/an/a 1.18E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50448251
PNG
(CHEMBL3120844)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157754
PNG
(CHEMBL436500 | methyl 2-(2-(2-(4,6-dimethylpyrimid...)
Show SMILES COC(=O)c1ccccc1NC(=O)COC(=O)CSc1nc(C)cc(C)n1
Show InChI InChI=1S/C18H19N3O5S/c1-11-8-12(2)20-18(19-11)27-10-16(23)26-9-15(22)21-14-7-5-4-6-13(14)17(24)25-3/h4-8H,9-10H2,1-3H3,(H,21,22)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157753
PNG
(CHEMBL222322 | N'-(1-(4-hydroxy-2-oxo-2H-chromen-3...)
Show SMILES C\C(=N/NS(=O)(=O)c1ccc(C)cc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C18H16N2O5S/c1-11-7-9-13(10-8-11)26(23,24)20-19-12(2)16-17(21)14-5-3-4-6-15(14)25-18(16)22/h3-10,20-21H,1-2H3/b19-12+
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n/an/a 1.39E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50183389
PNG
(CHEMBL204491 | N-benzyl-3-(2-benzylcarbamoyl-ethyl...)
Show SMILES O=C(CCSSCCC(=O)NCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C20H24N2O2S2/c23-19(21-15-17-7-3-1-4-8-17)11-13-25-26-14-12-20(24)22-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)
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n/an/a 1.88E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of falcipain3


J Med Chem 49: 1576-84 (2006)

More data for this
Ligand-Target Pair
Cysteine protease 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
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50448258
PNG
(CHEMBL3120837)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OCc1ccccc1
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50243177
PNG
((S)-benzyl 2-oxo-1-(1-oxo-4-phenylbutan-2-yl)-1,2-...)
Show SMILES O=C[C@H](CCc1ccccc1)n1cccc(NC(=O)OCc2ccccc2)c1=O
Show InChI InChI=1S/C23H22N2O4/c26-16-20(14-13-18-8-3-1-4-9-18)25-15-7-12-21(22(25)27)24-23(28)29-17-19-10-5-2-6-11-19/h1-12,15-16,20H,13-14,17H2,(H,24,28)/t20-/m0/s1
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University of Algarve

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 3


Bioorg Med Chem Lett 18: 4210-4 (2008)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50243178
PNG
((S)-methyl 4-(3-(benzyloxycarbonyl)-2-oxopyridin-1...)
Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)n1cccc(NC(=O)OCc2ccccc2)c1=O
Show InChI InChI=1S/C26H26N2O5/c1-32-24(29)17-16-22(15-14-20-9-4-2-5-10-20)28-18-8-13-23(25(28)30)27-26(31)33-19-21-11-6-3-7-12-21/h2-13,16-18,22H,14-15,19H2,1H3,(H,27,31)/b17-16+/t22-/m0/s1
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University of Algarve

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 3


Bioorg Med Chem Lett 18: 4210-4 (2008)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50448249
PNG
(CHEMBL3120846)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1C2CC(C=C2)C1NC(=O)OCc1ccccc1
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157749
PNG
(2-hydroxy-N'-[(4-{[(2-hydroxybenzoyl)hydrazono]met...)
Show SMILES Oc1ccccc1C(=O)NN=Cc1ccc(C=NNC(=O)c2ccccc2O)cc1
Show InChI InChI=1S/C22H18N4O4/c27-19-7-3-1-5-17(19)21(29)25-23-13-15-9-11-16(12-10-15)14-24-26-22(30)18-6-2-4-8-20(18)28/h1-14,27-28H,(H,25,29)(H,26,30)
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n/an/a 2.78E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM93124
PNG
(Trisubsituted thiazole, 14)
Show SMILES OCCCc1sc(C=CC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1
Show InChI InChI=1S/C27H31NO2S2/c29-19-7-14-26-25(17-15-23-11-5-2-6-12-23)28-27(32-26)18-16-24(30)21-31-20-8-13-22-9-3-1-4-10-22/h1-6,9-12,16,18,29H,7-8,13-15,17,19-21H2
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n/an/a 2.94E+4n/an/an/an/an/an/a



University, Mississippi



Assay Description
In vitro antimalarial assay, antimalarial activity of the compounds was determined in vitro on chloroquine sensitive and resistant strains of plasmod...


Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157748
PNG
(1-(naphthalen-2-ylsulfonyl)-4-(propylsulfonyl)pipe...)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H22N2O4S2/c1-2-13-24(20,21)18-9-11-19(12-10-18)25(22,23)17-8-7-15-5-3-4-6-16(15)14-17/h3-8,14H,2,9-13H2,1H3
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n/an/a 2.96E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50183397
PNG
(CHEMBL440764 | ethyl 2-(2-(furan-2-ylmethylamino)-...)
Show SMILES CCOC(=O)c1c2cc(OCC(=O)NCc3ccco3)ccc2n2ccccc12
Show InChI InChI=1S/C22H20N2O5/c1-2-27-22(26)21-17-12-15(8-9-18(17)24-10-4-3-7-19(21)24)29-14-20(25)23-13-16-6-5-11-28-16/h3-12H,2,13-14H2,1H3,(H,23,25)
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n/an/a 3.12E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of falcipain3


J Med Chem 49: 1576-84 (2006)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50183408
PNG
(1-((1-(phenylsulfonyl)piperidin-4-yl)methyl)-3-tos...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCC1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H25N3O5S2/c1-16-7-9-18(10-8-16)29(25,26)22-20(24)21-15-17-11-13-23(14-12-17)30(27,28)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H2,21,22,24)
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of falcipain3


J Med Chem 49: 1576-84 (2006)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50448264
PNG
(CHEMBL3120831)
Show SMILES CC(=O)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50183392
PNG
(4-(5-(5-(morpholinosulfonyl)thiophen-2-yl)thiophen...)
Show SMILES O=S(=O)(N1CCOCC1)c1ccc(s1)-c1ccc(s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H20N2O6S4/c19-27(20,17-5-9-23-10-6-17)15-3-1-13(25-15)14-2-4-16(26-14)28(21,22)18-7-11-24-12-8-18/h1-4H,5-12H2
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n/an/a 3.77E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of falcipain3


J Med Chem 49: 1576-84 (2006)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50183404
PNG
(CHEMBL204035 | N'-((2-chloro-6-fluorobenzyloxyamin...)
Show SMILES Fc1cccc(Cl)c1CON=CNNC(=O)Cn1nnc(n1)-c1ccccc1
Show InChI InChI=1S/C17H15ClFN7O2/c18-14-7-4-8-15(19)13(14)10-28-21-11-20-22-16(27)9-26-24-17(23-25-26)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,21)(H,22,27)
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n/an/a 3.85E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of falcipain3


J Med Chem 49: 1576-84 (2006)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50448255
PNG
(CHEMBL3120840)
Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCC(=O)CC1)NC(=O)OCc1ccccc1
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50183402
PNG
(CHEMBL205056 | methyl 2-(2-(4-(4-chlorophenylsulfo...)
Show SMILES COC(=O)c1ccsc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClN3O5S2/c1-27-18(24)15-6-11-28-17(15)20-16(23)12-21-7-9-22(10-8-21)29(25,26)14-4-2-13(19)3-5-14/h2-6,11H,7-10,12H2,1H3,(H,20,23)
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n/an/a 4.92E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of falcipain3


J Med Chem 49: 1576-84 (2006)

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
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)

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
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)

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
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)

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
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)

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
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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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)

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
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)

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
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)

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
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)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50183377
PNG
(CHEMBL383231 | methyl 3-[(3-{[2-(methoxycarbonyl)t...)
Show SMILES COC(=O)c1sccc1NC(=O)CC(=O)Nc1ccsc1C(=O)OC
Show InChI InChI=1S/C15H14N2O6S2/c1-22-14(20)12-8(3-5-24-12)16-10(18)7-11(19)17-9-4-6-25-13(9)15(21)23-2/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)
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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 falcipain3


J Med Chem 49: 1576-84 (2006)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50183385
PNG
(CHEMBL203823 | N-(2-(furan-2-ylmethylthio)ethyl)-2...)
Show SMILES CCCc1cc(=O)[nH]c(SCC(=O)NCCSCc2ccco2)n1
Show InChI InChI=1S/C16H21N3O3S2/c1-2-4-12-9-14(20)19-16(18-12)24-11-15(21)17-6-8-23-10-13-5-3-7-22-13/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,17,21)(H,18,19,20)
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University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of falcipain3


J Med Chem 49: 1576-84 (2006)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50183398
PNG
(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4-(fura...)
Show SMILES O=C(CSc1n[nH]c(=O)n1Cc1ccco1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H15N3O5S/c21-13(11-3-4-14-15(8-11)25-7-6-24-14)10-26-17-19-18-16(22)20(17)9-12-2-1-5-23-12/h1-5,8H,6-7,9-10H2,(H,18,22)
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University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of falcipain3


J Med Chem 49: 1576-84 (2006)

More data for this
Ligand-Target Pair
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