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Compile Data Set for Download or QSAR

Found 319 hits of ic50 data for polymerid = 2331,5372   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Falcipain 2


(Plasmodium falciparum)
BDBM50461249
PNG
(CHEMBL1215628)
Show SMILES CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(ncc1Br)C#N
Show InChI InChI=1S/C22H28BrN7O/c1-16(2)14-30(21-19(23)13-25-20(12-24)26-21)27-22(31)18-6-4-17(5-7-18)15-29-10-8-28(3)9-11-29/h4-7,13,16H,8-11,14-15H2,1-3H3,(H,27,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.600n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461265
PNG
(CHEMBL4226307)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1cccc(c1)-c1cn[nH]c1
Show InChI InChI=1/C22H20N6O2/c23-14-22(6-7-22)28-21(30)19(9-15-3-2-8-24-11-15)27-20(29)17-5-1-4-16(10-17)18-12-25-26-13-18/h1-5,8,10-13,19H,6-7,9H2,(H,25,26)(H,27,29)(H,28,30)/t19-/s2
PDB
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n/an/a 1.20n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain-2


(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=1/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)/b20-15+/t24-,26-/s2
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n/an/a 2n/an/an/an/an/an/a



University of Algarve

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 2


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


Article DOI: 10.1016/j.bmcl.2008.05.068
BindingDB Entry DOI: 10.7270/Q27H1JDB
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461271
PNG
(CHEMBL4224764)
Show SMILES Cn1nc(cc1-c1ccc(s1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CC1)C#N)C(F)(F)F
Show InChI InChI=1S/C22H19F3N6O2S/c1-31-15(10-18(30-31)22(23,24)25)16-4-5-17(34-16)20(33)28-14(9-13-3-2-8-27-11-13)19(32)29-21(12-26)6-7-21/h2-5,8,10-11,14H,6-7,9H2,1H3,(H,28,33)(H,29,32)/t14-/m0/s1
PDB
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UniProtKB/TrEMBL

B.MOAD
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n/an/a 2.20n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461272
PNG
(CHEMBL4227031)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cncc(c2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NC2(CC2)C#N)CC1
Show InChI InChI=1S/C30H33N7O2/c1-36-11-13-37(14-12-36)20-22-4-6-24(7-5-22)25-16-26(19-33-18-25)28(38)34-27(15-23-3-2-10-32-17-23)29(39)35-30(21-31)8-9-30/h2-7,10,16-19,27H,8-9,11-15,20H2,1H3,(H,34,38)(H,35,39)/t27-/m0/s1
PDB
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n/an/a 2.40n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461269
PNG
(CHEMBL4227166)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1cccc(c1)-c1ncc[nH]1
Show InChI InChI=1/C22H20N6O2/c23-14-22(6-7-22)28-21(30)18(11-15-3-2-8-24-13-15)27-20(29)17-5-1-4-16(12-17)19-25-9-10-26-19/h1-5,8-10,12-13,18H,6-7,11H2,(H,25,26)(H,27,29)(H,28,30)/t18-/s2
PDB
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B.MOAD
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n/an/a 2.70n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50033708
PNG
(CHEMBL3358129)
Show SMILES CO[C@H]1CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C
Show InChI InChI=1/C30H53N5O6.C2HF3O2/c1-17(2)14-22(32-29(39)23(15-18(3)4)33-30(40)27(19(5)6)34(9)10)28(38)31-20(7)12-13-25(36)35-21(8)24(41-11)16-26(35)37;3-2(4,5)1(6)7/h12-13,17-24,27H,14-16H2,1-11H3,(H,31,38)(H,32,39)(H,33,40);(H,6,7)/b13-12+;/t20-,21-,22-,23-,24-,27-;/s2
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PubMed
n/an/a 2.80n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...


J Med Chem 57: 10557-63 (2014)


Article DOI: 10.1021/jm501439w
BindingDB Entry DOI: 10.7270/Q2TM7CQW
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461270
PNG
(CHEMBL4227486)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C20H18N8O2/c21-12-20(6-7-20)25-19(30)17(9-14-3-2-8-22-11-14)24-18(29)15-4-1-5-16(10-15)28-13-23-26-27-28/h1-5,8,10-11,13,17H,6-7,9H2,(H,24,29)(H,25,30)/t17-/m0/s1
PDB
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UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 3n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50033628
PNG
(CHEMBL3358142)
Show SMILES COC1=CC(=O)N([C@H]1Cc1ccc(O)cc1)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C
Show InChI InChI=1/C36H55N5O7.C2HF3O2/c1-21(2)17-27(38-35(46)28(18-22(3)4)39-36(47)33(23(5)6)40(8)9)34(45)37-24(7)11-16-31(43)41-29(30(48-10)20-32(41)44)19-25-12-14-26(42)15-13-25;3-2(4,5)1(6)7/h11-16,20-24,27-29,33,42H,17-19H2,1-10H3,(H,37,45)(H,38,46)(H,39,47);(H,6,7)/b16-11+;/t24-,27-,28-,29-,33-;/s2
PDB
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n/an/a 5.30n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...


J Med Chem 57: 10557-63 (2014)


Article DOI: 10.1021/jm501439w
BindingDB Entry DOI: 10.7270/Q2TM7CQW
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461267
PNG
(CHEMBL4227427)
Show SMILES Cn1nc(cc1-c1ccc(s1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N)C(F)(F)F
Show InChI InChI=1S/C24H23F3N6O4S2/c1-33-17(12-20(32-33)24(25,26)27)18-4-5-19(38-18)22(35)30-16(11-15-3-2-8-29-13-15)21(34)31-23(14-28)6-9-39(36,37)10-7-23/h2-5,8,12-13,16H,6-7,9-11H2,1H3,(H,30,35)(H,31,34)/t16-/m0/s1
PDB
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UniProtKB/TrEMBL

B.MOAD
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UniChem
PubMed
n/an/a 6.30n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50033761
PNG
(CHEMBL3358128)
Show SMILES COC1=CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C
Show InChI InChI=1/C30H51N5O6.C2HF3O2/c1-17(2)14-22(32-29(39)23(15-18(3)4)33-30(40)27(19(5)6)34(9)10)28(38)31-20(7)12-13-25(36)35-21(8)24(41-11)16-26(35)37;3-2(4,5)1(6)7/h12-13,16-23,27H,14-15H2,1-11H3,(H,31,38)(H,32,39)(H,33,40);(H,6,7)/b13-12+;/t20-,21-,22-,23-,27-;/s2
PDB
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PubMed
n/an/a 6.80n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...


J Med Chem 57: 10557-63 (2014)


Article DOI: 10.1021/jm501439w
BindingDB Entry DOI: 10.7270/Q2TM7CQW
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50033625
PNG
(CHEMBL3352874)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C(C)C)C(OCc2ccccc2)=CC1=O
Show InChI InChI=1/C38H59N5O6.C2HF3O2/c1-23(2)19-29(40-37(47)30(20-24(3)4)41-38(48)35(26(7)8)42(10)11)36(46)39-27(9)17-18-32(44)43-33(45)21-31(34(43)25(5)6)49-22-28-15-13-12-14-16-28;3-2(4,5)1(6)7/h12-18,21,23-27,29-30,34-35H,19-20,22H2,1-11H3,(H,39,46)(H,40,47)(H,41,48);(H,6,7)/b18-17+;/t27-,29-,30-,34-,35-;/s2
PDB
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PubMed
n/an/a 6.90n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...


J Med Chem 57: 10557-63 (2014)


Article DOI: 10.1021/jm501439w
BindingDB Entry DOI: 10.7270/Q2TM7CQW
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461260
PNG
(CHEMBL4228926)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N
Show InChI InChI=1S/C25H29N3O4S/c1-18(2)16-22(24(30)28-25(17-26)12-14-33(31,32)15-13-25)27-23(29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,22H,12-16H2,1-2H3,(H,27,29)(H,28,30)/t22-/m0/s1
PDB
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n/an/a 8n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461266
PNG
(CHEMBL4226577)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C26H24N4O4S/c1-35(33,34)22-9-3-7-20(15-22)19-6-2-8-21(14-19)24(31)29-23(13-18-5-4-12-28-16-18)25(32)30-26(17-27)10-11-26/h2-9,12,14-16,23H,10-11,13H2,1H3,(H,29,31)(H,30,32)/t23-/m0/s1
PDB
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UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 8.20n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50033762
PNG
(GALLINAMIDE A | Gallinamide A)
Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O
Show InChI InChI=1/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/s2
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n/an/a 8.5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of FP2' in Plasmodium falciparum trophozoite stage after 1 hr by SDS-PAGE analysis


J Med Chem 57: 10557-63 (2014)


Article DOI: 10.1021/jm501439w
BindingDB Entry DOI: 10.7270/Q2TM7CQW
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50033762
PNG
(GALLINAMIDE A | Gallinamide A)
Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O
Show InChI InChI=1/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/s2
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n/an/a 8.5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of FP2 in Plasmodium falciparum trophozoite stage after 1 hr by SDS-PAGE analysis


J Med Chem 57: 10557-63 (2014)


Article DOI: 10.1021/jm501439w
BindingDB Entry DOI: 10.7270/Q2TM7CQW
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461264
PNG
(CHEMBL4227848)
Show SMILES CN1CCCC(C1)c1cccc(c1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C25H29N5O2/c1-30-12-4-8-21(16-30)19-6-2-7-20(14-19)23(31)28-22(13-18-5-3-11-27-15-18)24(32)29-25(17-26)9-10-25/h2-3,5-7,11,14-15,21-22H,4,8-10,12-13,16H2,1H3,(H,28,31)(H,29,32)/t21?,22-/m0/s1
PDB
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n/an/a 8.60n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50033630
PNG
(CHEMBL3358141)
Show SMILES [O-]C(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1C(C)C)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C
Show InChI InChI=1/C32H55N5O6.C2HF3O2/c1-18(2)15-23(34-31(41)24(16-19(3)4)35-32(42)29(21(7)8)36(10)11)30(40)33-22(9)13-14-26(38)37-27(39)17-25(43-12)28(37)20(5)6;3-2(4,5)1(6)7/h13-14,17-24,28-29H,15-16H2,1-12H3,(H,33,40)(H,34,41)(H,35,42);(H,6,7)/b14-13+;/t22-,23-,24-,28-,29-;/s2
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n/an/a 9.5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...


J Med Chem 57: 10557-63 (2014)


Article DOI: 10.1021/jm501439w
BindingDB Entry DOI: 10.7270/Q2TM7CQW
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50033626
PNG
(CHEMBL3358144)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1CC(OCc2ccccc2)=CC1=O
Show InChI InChI=1/C35H53N5O6.C2HF3O2/c1-22(2)17-28(37-34(44)29(18-23(3)4)38-35(45)32(24(5)6)39(8)9)33(43)36-25(7)15-16-30(41)40-20-27(19-31(40)42)46-21-26-13-11-10-12-14-26;3-2(4,5)1(6)7/h10-16,19,22-25,28-29,32H,17-18,20-21H2,1-9H3,(H,36,43)(H,37,44)(H,38,45);(H,6,7)/b16-15+;/t25-,28-,29-,32-;/s2
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n/an/a 9.60n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...


J Med Chem 57: 10557-63 (2014)


Article DOI: 10.1021/jm501439w
BindingDB Entry DOI: 10.7270/Q2TM7CQW
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50033627
PNG
(CHEMBL3358143)
Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C
Show InChI InChI=1/C38H56N6O6.C2HF3O2/c1-22(2)17-29(41-37(48)30(18-23(3)4)42-38(49)35(24(5)6)43(8)9)36(47)40-25(7)15-16-33(45)44-31(32(50-10)20-34(44)46)19-26-21-39-28-14-12-11-13-27(26)28;3-2(4,5)1(6)7/h11-16,20-25,29-31,35,39H,17-19H2,1-10H3,(H,40,47)(H,41,48)(H,42,49);(H,6,7)/b16-15+;/t25-,29-,30-,31-,35-;/s2
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n/an/a 12n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...


J Med Chem 57: 10557-63 (2014)


Article DOI: 10.1021/jm501439w
BindingDB Entry DOI: 10.7270/Q2TM7CQW
More data for this
Ligand-Target Pair
Falcipain-2


(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=1/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-/s2
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n/an/a 15n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of falcipain2


J Med Chem 49: 1576-84 (2006)


Article DOI: 10.1021/jm0505765
BindingDB Entry DOI: 10.7270/Q2B27W35
More data for this
Ligand-Target Pair
Falcipain-2


(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=1/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-/s2
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n/an/a 15n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2


J Med Chem 47: 6609-15 (2004)


Article DOI: 10.1021/jm0493717
BindingDB Entry DOI: 10.7270/Q2GT5P0D
More data for this
Ligand-Target Pair
Falcipain 2


(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=1/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-/s2
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 2 expressed in Escherichia coli using Z-Leu-Arg-AMC as substrate incubated for 30 min prior...


Citation and Details
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/a 20n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine sensitive Plasmodium falciparum MRC-02 schizont stage infected in human erythrocytes assessed as reduction i...


Bioorg Med Chem Lett 28: 1566-1569 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461247
PNG
(CHEMBL4228861)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H22N4O2/c26-17-25(12-13-25)29-24(31)22(15-18-5-4-14-27-16-18)28-23(30)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-11,14,16,22H,12-13,15H2,(H,28,30)(H,29,31)/t22-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50033659
PNG
(CHEMBL3358140)
Show SMILES [O-]C(=O)C(F)(F)F.COC1=CC(=O)N(C1)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C
Show InChI InChI=1/C29H49N5O6.C2HF3O2/c1-17(2)13-22(27(37)30-20(7)11-12-24(35)34-16-21(40-10)15-25(34)36)31-28(38)23(14-18(3)4)32-29(39)26(19(5)6)33(8)9;3-2(4,5)1(6)7/h11-12,15,17-20,22-23,26H,13-14,16H2,1-10H3,(H,30,37)(H,31,38)(H,32,39);(H,6,7)/b12-11+;/t20-,22-,23-,26-;/s2
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n/an/a 25n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ...


J Med Chem 57: 10557-63 (2014)


Article DOI: 10.1021/jm501439w
BindingDB Entry DOI: 10.7270/Q2TM7CQW
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461268
PNG
(CHEMBL4225350)
Show SMILES CN1CCN(Cc2ccc(s2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NC2(CC2)C#N)CC1
Show InChI InChI=1S/C23H28N6O2S/c1-28-9-11-29(12-10-28)15-18-4-5-20(32-18)22(31)26-19(13-17-3-2-8-25-14-17)21(30)27-23(16-24)6-7-23/h2-5,8,14,19H,6-7,9-13,15H2,1H3,(H,26,31)(H,27,30)/t19-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461248
PNG
(CHEMBL4227295)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C23H25N3O2/c1-16(2)14-20(22(28)26-23(15-24)12-13-23)25-21(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20H,12-14H2,1-2H3,(H,25,27)(H,26,28)/t20-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461273
PNG
(CHEMBL4227696)
Show SMILES CN1CCN(Cc2ccc(s2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NC2(CCS(=O)(=O)CC2)C#N)CC1
Show InChI InChI=1S/C25H32N6O4S2/c1-30-9-11-31(12-10-30)17-20-4-5-22(36-20)24(33)28-21(15-19-3-2-8-27-16-19)23(32)29-25(18-26)6-13-37(34,35)14-7-25/h2-5,8,16,21H,6-7,9-15,17H2,1H3,(H,28,33)(H,29,32)/t21-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461256
PNG
(CHEMBL4228143)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N
Show InChI InChI=1S/C25H37N5O4S/c1-19(2)16-22(24(32)28-25(18-26)8-14-35(33,34)15-9-25)27-23(31)21-6-4-20(5-7-21)17-30-12-10-29(3)11-13-30/h4-7,19,22H,8-17H2,1-3H3,(H,27,31)(H,28,32)/t22-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-2


(Plasmodium falciparum)
BDBM50463154
PNG
(CHEMBL4251480)
Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H34N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-28H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2 using Cbz-Phe-Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method


Bioorg Med Chem 26: 4624-4634 (2018)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-2


(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=1/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+/s2
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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 protease falcipain-2


(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-2 in Plasmodium falciparum HB3 infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis assay


Antimicrob Agents Chemother 52: 2346-54 (2008)


Article DOI: 10.1128/AAC.00057-08
BindingDB Entry DOI: 10.7270/Q2WH2Q8W
More data for this
Ligand-Target Pair
Cysteine protease falcipain-2


(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-2 in Plasmodium falciparum HB3-leuR1 mutant infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis ass...


Antimicrob Agents Chemother 52: 2346-54 (2008)


Article DOI: 10.1128/AAC.00057-08
BindingDB Entry DOI: 10.7270/Q2WH2Q8W
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50258544
PNG
(CHEMBL4096388)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O
Show InChI InChI=1/C27H33N3O6/c1-19(2)17-25(29-27(33)36-18-22-11-15-24(16-12-22)30(34)35)26(32)28-23(13-9-20(3)31)14-10-21-7-5-4-6-8-21/h4-9,11-13,15-16,19,23,25H,10,14,17-18H2,1-3H3,(H,28,32)(H,29,33)/b13-9+/t23-,25+/s2
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n/an/a 110n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15(pREP4) using Cbz-Phe-Arg-AMC as substrate by fluorescen...


J Med Chem 60: 6911-6923 (2017)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461252
PNG
(CHEMBL4224829)
Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cscn1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O2S/c24-14-23(10-11-23)27-22(29)20(12-19-13-30-15-25-19)26-21(28)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,13,15,20H,10-12H2,(H,26,28)(H,27,29)/t20-/m0/s1
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n/an/a 137n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50456905
PNG
(CHEMBL2235031)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(\C=N\Nc4cc(C)nc5ccc(Cl)cc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1S/C32H36ClN3O5/c1-18-5-11-26-20(3)29(38-30-32(26)25(18)13-14-31(4,39-30)40-41-32)37-23-9-6-21(7-10-23)17-34-36-28-15-19(2)35-27-12-8-22(33)16-24(27)28/h6-10,12,15-18,20,25-26,29-30H,5,11,13-14H2,1-4H3,(H,35,36)/b34-17+/t18-,20-,25+,26+,29+,30-,31-,32-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Hubei Engineering University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli using peptide substrate by fluorescence analysis


Eur J Med Chem 139: 22-47 (2017)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50456905
PNG
(CHEMBL2235031)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(\C=N\Nc4cc(C)nc5ccc(Cl)cc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1S/C32H36ClN3O5/c1-18-5-11-26-20(3)29(38-30-32(26)25(18)13-14-31(4,39-30)40-41-32)37-23-9-6-21(7-10-23)17-34-36-28-15-19(2)35-27-12-8-22(33)16-24(27)28/h6-10,12,15-18,20,25-26,29-30H,5,11,13-14H2,1-4H3,(H,35,36)/b34-17+/t18-,20-,25+,26+,29+,30-,31-,32-/m1/s1
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 2 expressed in Escherichia coli using Z-Leu-Arg-AMC as substrate incubated for 30 min prior...


Citation and Details
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50486819
PNG
(CHEMBL2235039)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(\C=N\Nc4cc(C)nc5cc(Cl)ccc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1S/C32H36ClN3O5/c1-18-5-12-26-20(3)29(38-30-32(26)25(18)13-14-31(4,39-30)40-41-32)37-23-9-6-21(7-10-23)17-34-36-28-15-19(2)35-27-16-22(33)8-11-24(27)28/h6-11,15-18,20,25-26,29-30H,5,12-14H2,1-4H3,(H,35,36)/b34-17+/t18-,20-,25+,26+,29+,30-,31-,32-/m1/s1
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n/an/a 170n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 2 expressed in Escherichia coli using Z-Leu-Arg-AMC as substrate incubated for 30 min prior...


Citation and Details
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461257
PNG
(CHEMBL4228343)
Show SMILES COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1
Show InChI InChI=1S/C26H24N4O3/c1-33-23-12-7-18(16-28-23)15-22(25(32)30-26(17-27)13-14-26)29-24(31)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,16,22H,13-15H2,1H3,(H,29,31)(H,30,32)
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n/an/a 178n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Cysteine protease falcipain-2


(Plasmodium falciparum)
BDBM50463146
PNG
(CHEMBL4240920)
Show SMILES CCOC(=O)\C=C\C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H28N2O6/c1-3-32-23(29)15-14-22(28)18(2)26-24(30)21(16-19-10-6-4-7-11-19)27-25(31)33-17-20-12-8-5-9-13-20/h4-15,18,21H,3,16-17H2,1-2H3,(H,26,30)(H,27,31)/b15-14+/t18-,21-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2 using Cbz-Phe-Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method


Bioorg Med Chem 26: 4624-4634 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461250
PNG
(CHEMBL4227965)
Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc(cc3)-c3ccccc3)C(=O)NC3(CC3)C#N)c2c1
Show InChI InChI=1/C28H24N4O3/c29-17-28(12-13-28)32-27(35)25(14-21-16-30-24-11-10-22(33)15-23(21)24)31-26(34)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-11,15-16,25,30,33H,12-14H2,(H,31,34)(H,32,35)/t25-/s2
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n/an/a 192n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50486810
PNG
(CHEMBL2235030)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(\C=N\Nc4cc(C)nc5c(C)c(Cl)ccc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1S/C33H38ClN3O5/c1-18-6-12-26-20(3)30(39-31-33(26)25(18)14-15-32(5,40-31)41-42-33)38-23-9-7-22(8-10-23)17-35-37-28-16-19(2)36-29-21(4)27(34)13-11-24(28)29/h7-11,13,16-18,20,25-26,30-31H,6,12,14-15H2,1-5H3,(H,36,37)/b35-17+/t18-,20-,25+,26+,30+,31-,32-,33-/m1/s1
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 2 expressed in Escherichia coli using Z-Leu-Arg-AMC as substrate incubated for 30 min prior...


Citation and Details
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461261
PNG
(CHEMBL4229174)
Show SMILES Clc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1
Show InChI InChI=1S/C25H21ClN4O2/c26-22-11-6-17(15-28-22)14-21(24(32)30-25(16-27)12-13-25)29-23(31)20-9-7-19(8-10-20)18-4-2-1-3-5-18/h1-11,15,21H,12-14H2,(H,29,31)(H,30,32)
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n/an/a 230n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 28: 1540-1544 (2018)

More data for this
Ligand-Target Pair
Falcipain 2


(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=1/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-/s2
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n/an/a 250n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15(pREP4) using Cbz-Phe-Arg-AMC as substrate by fluorescen...


J Med Chem 60: 6911-6923 (2017)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50258506
PNG
(CHEMBL4072275)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O
Show InChI InChI=1/C27H34N2O4/c1-20(2)18-25(29-27(32)33-19-23-12-8-5-9-13-23)26(31)28-24(16-14-21(3)30)17-15-22-10-6-4-7-11-22/h4-14,16,20,24-25H,15,17-19H2,1-3H3,(H,28,31)(H,29,32)/b16-14+/t24-,25+/s2
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n/an/a 250n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15(pREP4) using Cbz-Phe-Arg-AMC as substrate by fluorescen...


J Med Chem 60: 6911-6923 (2017)

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50486809
PNG
(CHEMBL2235038)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(\C=N\Nc4cc(C)nc5ccc(Br)cc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1S/C32H36BrN3O5/c1-18-5-11-26-20(3)29(38-30-32(26)25(18)13-14-31(4,39-30)40-41-32)37-23-9-6-21(7-10-23)17-34-36-28-15-19(2)35-27-12-8-22(33)16-24(27)28/h6-10,12,15-18,20,25-26,29-30H,5,11,13-14H2,1-4H3,(H,35,36)/b34-17+/t18-,20-,25+,26+,29+,30-,31-,32-/m1/s1
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n/an/a 260n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 2 expressed in Escherichia coli using Z-Leu-Arg-AMC as substrate incubated for 30 min prior...


Citation and Details
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50486815
PNG
(CHEMBL2235034)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(\C=N\Nc4cc(C)nc5c(F)cccc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1S/C32H36FN3O5/c1-18-8-13-25-20(3)29(38-30-32(25)24(18)14-15-31(4,39-30)40-41-32)37-22-11-9-21(10-12-22)17-34-36-27-16-19(2)35-28-23(27)6-5-7-26(28)33/h5-7,9-12,16-18,20,24-25,29-30H,8,13-15H2,1-4H3,(H,35,36)/b34-17+/t18-,20-,24+,25+,29+,30-,31-,32-/m1/s1
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n/an/a 280n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 2 expressed in Escherichia coli using Z-Leu-Arg-AMC as substrate incubated for 30 min prior...


Citation and Details
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50486813
PNG
(CHEMBL2235037)
Show SMILES COc1ccc2nc(C)cc(N\N=C\c3ccc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@@]57OO6)cc3)c2c1
Show InChI InChI=1S/C33H39N3O6/c1-19-6-12-27-21(3)30(39-31-33(27)26(19)14-15-32(4,40-31)41-42-33)38-23-9-7-22(8-10-23)18-34-36-29-16-20(2)35-28-13-11-24(37-5)17-25(28)29/h7-11,13,16-19,21,26-27,30-31H,6,12,14-15H2,1-5H3,(H,35,36)/b34-18+/t19-,21-,26+,27+,30+,31-,32-,33-/m1/s1
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n/an/a 290n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain 2 expressed in Escherichia coli using Z-Leu-Arg-AMC as substrate incubated for 30 min prior...


Citation and Details
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50157206
PNG
((1Z)-1-(3,4-dichlorophenyl)-2-phenoxyethan-1-one t...)
Show SMILES NC(=S)NN=C(COc1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2N3OS/c16-12-7-6-10(8-13(12)17)14(19-20-15(18)22)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H3,18,20,22)/b19-14+
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n/an/a 375n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibitory concentration against falcipain-2 of Plasmodium falciparum W2


Bioorg Med Chem Lett 15: 121-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.023
BindingDB Entry DOI: 10.7270/Q2BV7G4K
More data for this
Ligand-Target Pair
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