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There are 48 purchasable compounds for target: Cysteine protease falcipain-2

Compile data set for download or QSAR
Wt: 237.2
BDBM23144
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Wt: 192.1
BDBM22817
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Wt: 382.4
BDBM50073850
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Wt: 220.2
BDBM50133615
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Wt: 299.1
BDBM50133618
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Wt: 268.7
BDBM50133619
Wt: 306.1
BDBM50133622
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Wt: 238.2
BDBM50133624
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Wt: 271.6
BDBM50133625
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Wt: 248.3
BDBM50133626
Wt: 265.2
BDBM50133627
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Wt: 234.2
BDBM50133628
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Wt: 269.3
BDBM50148049
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Wt: 194.2
BDBM50148056
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Wt: 384.4
BDBM50157747
Displayed 1 to 15 (of 48 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 23144,22817,50073850,50133615,50133618,50133619,50133622,50133624,50133625,50133626,50133627,50133628,50148049,50148056,50157747   
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)
BDBM23144
PNG
(2,4-dihydroxy-3-(morpholin-4-ylmethyl)benzaldehyde...)
Show SMILES Oc1ccc(C=O)c(O)c1CN1CCOCC1
Show InChI InChI=1S/C12H15NO4/c14-8-9-1-2-11(15)10(12(9)16)7-13-3-5-17-6-4-13/h1-2,8,15-16H,3-7H2
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n/an/a>2.00E+4n/an/an/an/a5.522



University of Cape Town



Assay Description
IC50 values against the recombinant falcipain-2 were determined by incubating protein with different concentrations of inhibitors in reaction buffer ...


Bioorg Med Chem 15: 273-82 (2007)


Article DOI: 10.1016/j.bmc.2006.09.055
BindingDB Entry DOI: 10.7270/Q290222W
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50157747
PNG
(CHEMBL222709 | N-(3-hydroxy-phenyl)-3-(3-hydroxy-p...)
Show SMILES Oc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(O)c2)c1
Show InChI InChI=1S/C19H16N2O5S/c22-16-7-2-5-14(11-16)20-19(24)13-4-1-9-18(10-13)27(25,26)21-15-6-3-8-17(23)12-15/h1-12,21-23H,(H,20,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum 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)
BDBM50133619
PNG
((3Z)-5-chloro-7-methyl-1H-indole-2,3-dione 3-thios...)
Show SMILES Cc1cc(Cl)cc2c(N=NC(N)=S)c(O)[nH]c12
Show InChI InChI=1S/C10H9ClN4OS/c1-4-2-5(11)3-6-7(4)13-9(16)8(6)14-15-10(12)17/h2-3,13,16H,1H3,(H2,12,17)/b15-14+
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n/an/a 9.40E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against Falcipain-2


Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50133627
PNG
((3Z)-5-nitro-1H-indole-2,3-dione 3-thiosemicarbazo...)
Show SMILES NC([S-])=[N+]=Nc1c2cc(cc[c-]2[nH]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1S/C9H6N5O3S/c10-9(18)13-12-7-5-3-4(14(16)17)1-2-6(5)11-8(7)15/h1-3H,(H3,10,11,15,18)/q-1/p+1
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against Falcipain-2


Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50133624
PNG
((3Z)-5-fluoro-1H-indole-2,3-dione 3-thiosemicarbaz...)
Show SMILES NC(=S)N=Nc1c(O)[nH]c2ccc(F)cc12
Show InChI InChI=1S/C9H7FN4OS/c10-4-1-2-6-5(3-4)7(8(15)12-6)13-14-9(11)16/h1-3,12,15H,(H2,11,16)/b14-13+
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n/an/a 3.86E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against Falcipain-2


Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50133628
PNG
((3Z)-5-methyl-1H-indole-2,3-dione 3-thiosemicarbaz...)
Show SMILES Cc1ccc2[nH]c(O)c(N=NC(N)=S)c2c1
Show InChI InChI=1S/C10H10N4OS/c1-5-2-3-7-6(4-5)8(9(15)12-7)13-14-10(11)16/h2-4,12,15H,1H3,(H2,11,16)/b14-13+
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n/an/a 4.39E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against Falcipain-2


Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50133618
PNG
((3Z)-5-bromo-1H-indole-2,3-dione 3-thiosemicarbazo...)
Show SMILES NC(=S)N=Nc1c(O)[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C9H7BrN4OS/c10-4-1-2-6-5(3-4)7(8(15)12-6)13-14-9(11)16/h1-3,12,15H,(H2,11,16)/b14-13+
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n/an/a 2.96E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against Falcipain-2


Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM22817
PNG
(5-nitro-2,3-dihydro-1H-indole-2,3-dione | CHEMBL11...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
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n/an/a 4.26E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against Falcipain-2


Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50133625
PNG
(1-Benzyl-5-chloro-1H-indole-2,3-dione | CHEMBL3366...)
Show SMILES Clc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C15H10ClNO2/c16-11-6-7-13-12(8-11)14(18)15(19)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2
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n/an/a 4.69E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against Falcipain-2


Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50133626
PNG
((3Z)-5,7-dimethyl-1H-indole-2,3-dione 3-thiosemica...)
Show SMILES Cc1cc(C)c2[nH]c(O)c(N=NC(N)=S)c2c1
Show InChI InChI=1S/C11H12N4OS/c1-5-3-6(2)8-7(4-5)9(10(16)13-8)14-15-11(12)17/h3-4,13,16H,1-2H3,(H2,12,17)/b15-14+
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n/an/a 1.32E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against Falcipain-2


Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50133615
PNG
((3Z)-1H-indole-2,3-dione 3-thiosemicarbazone | CHE...)
Show SMILES NC(=S)N=Nc1c(O)[nH]c2ccccc12
Show InChI InChI=1S/C9H8N4OS/c10-9(15)13-12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4,11,14H,(H2,10,15)/b13-12+
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n/an/a 3.88E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against Falcipain-2


Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50148056
PNG
((1E)-1-pyridin-2-ylethan-1-one thiosemicarbazone |...)
Show SMILES CC(=NNC(N)=S)c1ccccn1
Show InChI InChI=1S/C8H10N4S/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-5H,1H3,(H3,9,12,13)/b11-6+
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of falcipain2 from Plasmodium falciparum


J Med Chem 47: 3212-9 (2004)


Article DOI: 10.1021/jm030549j
BindingDB Entry DOI: 10.7270/Q2Z60NHZ
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50148049
PNG
((1E)-1-(1,1'-biphenyl-4-yl)ethan-1-one thiosemicar...)
Show SMILES CC(=NNC(N)=S)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H15N3S/c1-11(17-18-15(16)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3,(H3,16,18,19)/b17-11+
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of falcipain2 from Plasmodium falciparum


J Med Chem 47: 3212-9 (2004)


Article DOI: 10.1021/jm030549j
BindingDB Entry DOI: 10.7270/Q2Z60NHZ
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50073850
PNG
((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/s2
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant FP2A fused with maltose binding protein


J Med Chem 49: 3064-7 (2006)


Article DOI: 10.1021/jm060405f
BindingDB Entry DOI: 10.7270/Q2736RQM
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50133622
PNG
(5-Chloro-1-(4-chloro-benzyl)-1H-indole-2,3-dione |...)
Show SMILES Clc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-10-3-1-9(2-4-10)8-18-13-6-5-11(17)7-12(13)14(19)15(18)20/h1-7H,8H2
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n/an/a 3.12E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against Falcipain-2


Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair