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Compile Data Set for Download or QSAR

Found 30 hits of ph data with Target = 'Falcipain-2'   
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)
BDBM12032
PNG
(1-{4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H17ClN2O4/c24-17-5-9-19(10-6-17)26-23(28)25-18-7-3-16(4-8-18)20(27)11-1-15-2-12-21-22(13-15)30-14-29-21/h1-13H,14H2,(H2,25,26,28)/b11-1+
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n/an/a 2.50E+3n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM23157
PNG
(1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-3-[(E)-{...)
Show SMILES Oc1ccc(C=NNC(=O)NCCNc2ccnc3cc(Cl)ccc23)c(O)c1CN1CCCCC1
Show InChI InChI=1S/C25H29ClN6O3/c26-18-5-6-19-21(8-9-27-22(19)14-18)28-10-11-29-25(35)31-30-15-17-4-7-23(33)20(24(17)34)16-32-12-2-1-3-13-32/h4-9,14-15,33-34H,1-3,10-13,16H2,(H,27,28)(H2,29,31,35)
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n/an/a 630n/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)
BDBM12035
PNG
(3-(4-chlorophenyl)-1-{4-[(2E)-3-(2,4-dichloropheny...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C22H15Cl3N2O2/c23-16-6-10-19(11-7-16)27-22(29)26-18-8-2-15(3-9-18)21(28)12-4-14-1-5-17(24)13-20(14)25/h1-13H,(H2,26,27,29)/b12-4+
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n/an/a 2.50E+3n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM12036
PNG
(3-(4-chlorophenyl)-1-{4-[(2E)-3-(2,4-difluoropheny...)
Show SMILES Fc1ccc(\C=C\C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c(F)c1
Show InChI InChI=1S/C22H15ClF2N2O2/c23-16-5-10-19(11-6-16)27-22(29)26-18-8-2-15(3-9-18)21(28)12-4-14-1-7-17(24)13-20(14)25/h1-13H,(H2,26,27,29)/b12-4+
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n/an/a 2.60E+3n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM12037
PNG
(3-(4-chlorophenyl)-1-{4-[(2E)-3-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(OC)c1OC
Show InChI InChI=1S/C25H23ClN2O5/c1-31-22-14-16(15-23(32-2)24(22)33-3)4-13-21(29)17-5-9-19(10-6-17)27-25(30)28-20-11-7-18(26)8-12-20/h4-15H,1-3H3,(H2,27,28,30)/b13-4+
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n/an/a 1.80E+3n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM12038
PNG
(3-(4-chlorophenyl)-1-{4-[(2E)-3-phenylprop-2-enoyl...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H17ClN2O2/c23-18-9-13-20(14-10-18)25-22(27)24-19-11-7-17(8-12-19)21(26)15-6-16-4-2-1-3-5-16/h1-15H,(H2,24,25,27)/b15-6+
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n/an/a 3.80E+3n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM12039
PNG
(3-(4-chlorophenyl)-1-{4-[(2E)-3-(pyridin-3-yl)prop...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C21H16ClN3O2/c22-17-6-10-19(11-7-17)25-21(27)24-18-8-4-16(5-9-18)20(26)12-3-15-2-1-13-23-14-15/h1-14H,(H2,24,25,27)/b12-3+
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n/an/a 3.40E+3n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM12040
PNG
(3-(4-methoxyphenyl)-1-{4-[(2E)-3-(pyridin-3-yl)pro...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19N3O3/c1-28-20-11-9-19(10-12-20)25-22(27)24-18-7-5-17(6-8-18)21(26)13-4-16-3-2-14-23-15-16/h2-15H,1H3,(H2,24,25,27)/b13-4+
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n/an/a 1.25E+4n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM12041
PNG
((2S)-2-({5-[(diaminomethylidene)amino]-1-oxopentan...)
Show SMILES CC(C)C[C@H](NC(CCCNC(N)=N)C=O)C(=O)NC(=O)[C@H](CC(C)C)NC(C)=O
Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)18(29)26-19(30)17(10-13(3)4)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17,25H,6-10H2,1-5H3,(H,24,28)(H4,21,22,23)(H,26,29,30)/t15?,16-,17-/m0/s1
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n/an/a 5.80n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM12042
PNG
((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...)
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 58n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM23141
PNG
(3-[(diethylamino)methyl]-2,4-dihydroxybenzaldehyde...)
Show SMILES CCN(CC)Cc1c(O)ccc(C=O)c1O
Show InChI InChI=1S/C12H17NO3/c1-3-13(4-2)7-10-11(15)6-5-9(8-14)12(10)16/h5-6,8,15-16H,3-4,7H2,1-2H3
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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)
BDBM23142
PNG
(2,4-dihydroxy-3-(pyrrolidin-1-ylmethyl)benzaldehyd...)
Show SMILES Oc1ccc(C=O)c(O)c1CN1CCCC1
Show InChI InChI=1S/C12H15NO3/c14-8-9-3-4-11(15)10(12(9)16)7-13-5-1-2-6-13/h3-4,8,15-16H,1-2,5-7H2
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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)
BDBM23143
PNG
(2,4-dihydroxy-3-(piperidin-1-ylmethyl)benzaldehyde...)
Show SMILES Oc1ccc(C=O)c(O)c1CN1CCCCC1
Show InChI InChI=1S/C13H17NO3/c15-9-10-4-5-12(16)11(13(10)17)8-14-6-2-1-3-7-14/h4-5,9,16-17H,1-3,6-8H2
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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)
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)
BDBM23145
PNG
(2,4-dihydroxy-3-[(4-methylpiperazin-1-yl)methyl]be...)
Show SMILES CN1CCN(Cc2c(O)ccc(C=O)c2O)CC1
Show InChI InChI=1S/C13H18N2O3/c1-14-4-6-15(7-5-14)8-11-12(17)3-2-10(9-16)13(11)18/h2-3,9,17-18H,4-8H2,1H3
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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)
BDBM23146
PNG
(3-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl...)
Show SMILES Oc1ccc(C=O)c(O)c1CN1CCN(CC1)c1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C21H20ClN3O3/c22-15-2-3-16-18(11-15)23-6-5-19(16)25-9-7-24(8-10-25)12-17-20(27)4-1-14(13-26)21(17)28/h1-6,11,13,27-28H,7-10,12H2
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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)
BDBM23147
PNG
([(E)-({3-[(diethylamino)methyl]-2,4-dihydroxypheny...)
Show SMILES CCN(CC)Cc1c(O)ccc(C=NNC(N)=S)c1O
Show InChI InChI=1S/C13H20N4O2S/c1-3-17(4-2)8-10-11(18)6-5-9(12(10)19)7-15-16-13(14)20/h5-7,18-19H,3-4,8H2,1-2H3,(H3,14,16,20)
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n/an/a 1.11E+4n/an/an/an/a5.522



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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)
BDBM23148
PNG
([(E)-{[2,4-dihydroxy-3-(pyrrolidin-1-ylmethyl)phen...)
Show SMILES NC(=S)NN=Cc1ccc(O)c(CN2CCCC2)c1O
Show InChI InChI=1S/C13H18N4O2S/c14-13(20)16-15-7-9-3-4-11(18)10(12(9)19)8-17-5-1-2-6-17/h3-4,7,18-19H,1-2,5-6,8H2,(H3,14,16,20)
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n/an/a 5.85E+3n/an/an/an/a5.522



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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)
BDBM23149
PNG
([(E)-{[2,4-dihydroxy-3-(piperidin-1-ylmethyl)pheny...)
Show SMILES NC(=S)NN=Cc1ccc(O)c(CN2CCCCC2)c1O
Show InChI InChI=1S/C14H20N4O2S/c15-14(21)17-16-8-10-4-5-12(19)11(13(10)20)9-18-6-2-1-3-7-18/h4-5,8,19-20H,1-3,6-7,9H2,(H3,15,17,21)
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n/an/a 3.80E+3n/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)
BDBM23150
PNG
([(E)-{[2,4-dihydroxy-3-(morpholin-4-ylmethyl)pheny...)
Show SMILES NC(=S)NN=Cc1ccc(O)c(CN2CCOCC2)c1O
Show InChI InChI=1S/C13H18N4O3S/c14-13(21)16-15-7-9-1-2-11(18)10(12(9)19)8-17-3-5-20-6-4-17/h1-2,7,18-19H,3-6,8H2,(H3,14,16,21)
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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)
BDBM23151
PNG
([(E)-({2,4-dihydroxy-3-[(4-methylpiperazin-1-yl)me...)
Show SMILES CN1CCN(Cc2c(O)ccc(C=NNC(N)=S)c2O)CC1
Show InChI InChI=1S/C14H21N5O2S/c1-18-4-6-19(7-5-18)9-11-12(20)3-2-10(13(11)21)8-16-17-14(15)22/h2-3,8,20-21H,4-7,9H2,1H3,(H3,15,17,22)
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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)
BDBM23152
PNG
([(E)-[(3-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl...)
Show SMILES NC(=S)NN=Cc1ccc(O)c(CN2CCN(CC2)c2ccnc3cc(Cl)ccc23)c1O
Show InChI InChI=1S/C22H23ClN6O2S/c23-15-2-3-16-18(11-15)25-6-5-19(16)29-9-7-28(8-10-29)13-17-20(30)4-1-14(21(17)31)12-26-27-22(24)32/h1-6,11-12,30-31H,7-10,13H2,(H3,24,27,32)
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n/an/a 2.25E+3n/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)
BDBM23153
PNG
([(E)-[(3-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl...)
Show SMILES NC(=O)NN=Cc1ccc(O)c(CN2CCN(CC2)c2ccnc3cc(Cl)ccc23)c1O
Show InChI InChI=1S/C22H23ClN6O3/c23-15-2-3-16-18(11-15)25-6-5-19(16)29-9-7-28(8-10-29)13-17-20(30)4-1-14(21(17)31)12-26-27-22(24)32/h1-6,11-12,30-31H,7-10,13H2,(H3,24,27,32)
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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)
BDBM23154
PNG
(2,4-dihydroxybenzaldehyde thiosemicarbazone | [(E)...)
Show SMILES NC(=S)NN=Cc1ccc(O)cc1O
Show InChI InChI=1S/C8H9N3O2S/c9-8(14)11-10-4-5-1-2-6(12)3-7(5)13/h1-4,12-13H,(H3,9,11,14)
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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)
BDBM23158
PNG
(1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-3-[(E)-{...)
Show SMILES Oc1ccc(C=NNC(=O)NCCNc2ccnc3cc(Cl)ccc23)c(O)c1CN1CCOCC1
Show InChI InChI=1S/C24H27ClN6O4/c25-17-2-3-18-20(5-6-26-21(18)13-17)27-7-8-28-24(34)30-29-14-16-1-4-22(32)19(23(16)33)15-31-9-11-35-12-10-31/h1-6,13-14,32-33H,7-12,15H2,(H,26,27)(H2,28,30,34)
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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)
BDBM23159
PNG
(1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-3-[(E)-(...)
Show SMILES CN1CCN(Cc2c(O)ccc(C=NNC(=O)NCCNc3ccnc4cc(Cl)ccc34)c2O)CC1
Show InChI InChI=1S/C25H30ClN7O3/c1-32-10-12-33(13-11-32)16-20-23(34)5-2-17(24(20)35)15-30-31-25(36)29-9-8-28-21-6-7-27-22-14-18(26)3-4-19(21)22/h2-7,14-15,34-35H,8-13,16H2,1H3,(H,27,28)(H2,29,31,36)
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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)
BDBM23160
PNG
(1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-3-[(E)-[...)
Show SMILES Oc1ccc(C=NNC(=O)NCCNc2ccnc3cc(Cl)ccc23)c(O)c1CN1CCN(CC1)c1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C33H32Cl2N8O3/c34-22-2-4-24-27(7-9-36-28(24)17-22)38-11-12-39-33(46)41-40-19-21-1-6-31(44)26(32(21)45)20-42-13-15-43(16-14-42)30-8-10-37-29-18-23(35)3-5-25(29)30/h1-10,17-19,44-45H,11-16,20H2,(H,36,38)(H2,39,41,46)
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n/an/a 3.16E+3n/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)
BDBM23155
PNG
(1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-3-[(E)-(...)
Show SMILES CCN(CC)Cc1c(O)ccc(C=NNC(=O)NCCNc2ccnc3cc(Cl)ccc23)c1O
Show InChI InChI=1S/C24H29ClN6O3/c1-3-31(4-2)15-19-22(32)8-5-16(23(19)33)14-29-30-24(34)28-12-11-27-20-9-10-26-21-13-17(25)6-7-18(20)21/h5-10,13-14,32-33H,3-4,11-12,15H2,1-2H3,(H,26,27)(H2,28,30,34)
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n/an/a 2.60E+3n/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)
BDBM23156
PNG
(1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-3-[(E)-{...)
Show SMILES Oc1ccc(C=NNC(=O)NCCNc2ccnc3cc(Cl)ccc23)c(O)c1CN1CCCC1
Show InChI InChI=1S/C24H27ClN6O3/c25-17-4-5-18-20(7-8-26-21(18)13-17)27-9-10-28-24(34)30-29-14-16-3-6-22(32)19(23(16)33)15-31-11-1-2-12-31/h3-8,13-14,32-33H,1-2,9-12,15H2,(H,26,27)(H2,28,30,34)
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n/an/a 720n/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)
BDBM12034
PNG
(3-(4-chlorophenyl)-1-{4-[(2E)-3-(4-chlorophenyl)pr...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H16Cl2N2O2/c23-17-6-1-15(2-7-17)3-14-21(27)16-4-10-19(11-5-16)25-22(28)26-20-12-8-18(24)9-13-20/h1-14H,(H2,25,26,28)/b14-3+
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n/an/a 2.60E+3n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair