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Compile Data Set for Download or QSAR

Found 42 hits from Delhi Institute of Pharmaceutical Sciences and Research   
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)
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)
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 200n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM106752
PNG
(2‐[2‐(3‐fluoropyrrolidine‐...)
Show SMILES FC1CCN(C1)C(=O)C1CCCN1CC(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1/C19H27FN6O2/c20-15-4-8-26(13-15)18(28)16-3-1-7-25(16)14-17(27)23-9-11-24(12-10-23)19-21-5-2-6-22-19/h2,5-6,15-16H,1,3-4,7-14H2
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n/an/a 430n/an/an/an/an/a37



Delhi Institute of Pharmaceutical Sciences and Research



Assay Description
The enzyme assay was performed using DPP IV drug discovery kit (BML-AK 499; Enzo Life Sciences, Plymouth Meeting, PA, USA). The activity of test com...


Chem Biol Drug Des 82: 156-66 (2013)


Article DOI: 10.1111/cbdd.12142
BindingDB Entry DOI: 10.7270/Q2ZC81H8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM106751
PNG
(2‐[2‐(3‐fluoropyrrolidine‐...)
Show SMILES FC1CCN(C1)C(=O)C1CCCN1CC(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1/C20H28FN5O2/c21-16-6-9-26(14-16)20(28)17-4-3-8-25(17)15-19(27)24-12-10-23(11-13-24)18-5-1-2-7-22-18/h1-2,5,7,16-17H,3-4,6,8-15H2
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n/an/a 830n/an/an/an/an/a37



Delhi Institute of Pharmaceutical Sciences and Research



Assay Description
The enzyme assay was performed using DPP IV drug discovery kit (BML-AK 499; Enzo Life Sciences, Plymouth Meeting, PA, USA). The activity of test com...


Chem Biol Drug Des 82: 156-66 (2013)


Article DOI: 10.1111/cbdd.12142
BindingDB Entry DOI: 10.7270/Q2ZC81H8
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50461234
PNG
(CHEMBL4226443)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(F)cc3)C(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C29H26FN3O3/c1-3-32(4-2)23-15-12-21-16-24(29(35)36-27(21)17-23)25-18-26(19-10-13-22(30)14-11-19)33(31-25)28(34)20-8-6-5-7-9-20/h5-17,26H,3-4,18H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50461235
PNG
(CHEMBL4227918)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(cc3)[N+]([O-])=O)C(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C29H26N4O5/c1-3-31(4-2)23-15-12-21-16-24(29(35)38-27(21)17-23)25-18-26(19-10-13-22(14-11-19)33(36)37)32(30-25)28(34)20-8-6-5-7-9-20/h5-17,26H,3-4,18H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM106759
PNG
((2S)‐2‐amino‐3‐methyl̴...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCSC1
Show InChI InChI=1/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7?,8-/s2
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n/an/a 2.50E+3n/an/an/an/an/a37



Delhi Institute of Pharmaceutical Sciences and Research



Assay Description
The enzyme assay was performed using DPP IV drug discovery kit (BML-AK 499; Enzo Life Sciences, Plymouth Meeting, PA, USA). The activity of test com...


Chem Biol Drug Des 82: 156-66 (2013)


Article DOI: 10.1111/cbdd.12142
BindingDB Entry DOI: 10.7270/Q2ZC81H8
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461235
PNG
(CHEMBL4227918)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(cc3)[N+]([O-])=O)C(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C29H26N4O5/c1-3-31(4-2)23-15-12-21-16-24(29(35)38-27(21)17-23)25-18-26(19-10-13-22(14-11-19)33(36)37)32(30-25)28(34)20-8-6-5-7-9-20/h5-17,26H,3-4,18H2,1-2H3
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n/an/a 3.30E+3n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM106753
PNG
(1‐(azepan‐1‐yl)‐2‐[2...)
Show SMILES FC1CCN(C1)C(=O)C1CCCN1CC(=O)N1CCCCCC1
Show InChI InChI=1/C17H28FN3O2/c18-14-7-11-21(12-14)17(23)15-6-5-10-20(15)13-16(22)19-8-3-1-2-4-9-19/h14-15H,1-13H2
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n/an/a 3.47E+3n/an/an/an/an/a37



Delhi Institute of Pharmaceutical Sciences and Research



Assay Description
The enzyme assay was performed using DPP IV drug discovery kit (BML-AK 499; Enzo Life Sciences, Plymouth Meeting, PA, USA). The activity of test com...


Chem Biol Drug Des 82: 156-66 (2013)


Article DOI: 10.1111/cbdd.12142
BindingDB Entry DOI: 10.7270/Q2ZC81H8
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461234
PNG
(CHEMBL4226443)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(F)cc3)C(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C29H26FN3O3/c1-3-32(4-2)23-15-12-21-16-24(29(35)36-27(21)17-23)25-18-26(19-10-13-22(30)14-11-19)33(31-25)28(34)20-8-6-5-7-9-20/h5-17,26H,3-4,18H2,1-2H3
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n/an/a 4.20E+3n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM106750
PNG
((3-fluoropyrrolidin-1-yl) (pyrrolidin-2-yl)methano...)
Show SMILES FC1CCN(C1)C(=O)C1CCCN1
Show InChI InChI=1/C9H15FN2O/c10-7-3-5-12(6-7)9(13)8-2-1-4-11-8/h7-8,11H,1-6H2
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n/an/a 4.27E+3n/an/an/an/an/a37



Delhi Institute of Pharmaceutical Sciences and Research



Assay Description
The enzyme assay was performed using DPP IV drug discovery kit (BML-AK 499; Enzo Life Sciences, Plymouth Meeting, PA, USA). The activity of test com...


Chem Biol Drug Des 82: 156-66 (2013)


Article DOI: 10.1111/cbdd.12142
BindingDB Entry DOI: 10.7270/Q2ZC81H8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM106756
PNG
((3-Fluoro-pyrrolidin-1-yl)-[1-(2-piperidin-1-yl-et...)
Show SMILES FC1CCN(C1)C(=O)C1CCCN1CCN1CCCCC1
Show InChI InChI=1/C16H28FN3O/c17-14-6-10-20(13-14)16(21)15-5-4-9-19(15)12-11-18-7-2-1-3-8-18/h14-15H,1-13H2
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n/an/a 6.49E+3n/an/an/an/an/a37



Delhi Institute of Pharmaceutical Sciences and Research



Assay Description
The enzyme assay was performed using DPP IV drug discovery kit (BML-AK 499; Enzo Life Sciences, Plymouth Meeting, PA, USA). The activity of test com...


Chem Biol Drug Des 82: 156-66 (2013)


Article DOI: 10.1111/cbdd.12142
BindingDB Entry DOI: 10.7270/Q2ZC81H8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM106754
PNG
(2‐[2‐(3‐fluoropyrrolidine‐...)
Show SMILES FC1CCN(C1)C(=O)C1CCCN1CC(=O)N1CCCCC1
Show InChI InChI=1/C16H26FN3O2/c17-13-6-10-20(11-13)16(22)14-5-4-9-19(14)12-15(21)18-7-2-1-3-8-18/h13-14H,1-12H2
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n/an/a 7.88E+3n/an/an/an/an/a37



Delhi Institute of Pharmaceutical Sciences and Research



Assay Description
The enzyme assay was performed using DPP IV drug discovery kit (BML-AK 499; Enzo Life Sciences, Plymouth Meeting, PA, USA). The activity of test com...


Chem Biol Drug Des 82: 156-66 (2013)


Article DOI: 10.1111/cbdd.12142
BindingDB Entry DOI: 10.7270/Q2ZC81H8
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50461226
PNG
(CHEMBL4228534)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(Cl)cc3)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C28H26ClN3O2/c1-3-31(4-2)23-15-12-20-16-24(28(33)34-27(20)17-23)25-18-26(19-10-13-21(29)14-11-19)32(30-25)22-8-6-5-7-9-22/h5-17,26H,3-4,18H2,1-2H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461226
PNG
(CHEMBL4228534)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(Cl)cc3)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C28H26ClN3O2/c1-3-31(4-2)23-15-12-20-16-24(28(33)34-27(20)17-23)25-18-26(19-10-13-21(29)14-11-19)32(30-25)22-8-6-5-7-9-22/h5-17,26H,3-4,18H2,1-2H3
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n/an/a 1.04E+4n/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)
BDBM50461225
PNG
(CHEMBL4224867)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(O)cc3)C(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C29H27N3O4/c1-3-31(4-2)22-13-10-21-16-24(29(35)36-27(21)17-22)25-18-26(19-11-14-23(33)15-12-19)32(30-25)28(34)20-8-6-5-7-9-20/h5-17,26,33H,3-4,18H2,1-2H3
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n/an/a 1.43E+4n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM106755
PNG
(2‐[2‐(3‐fluoropyrrolidine‐...)
Show SMILES FC1CCN(C1)C(=O)C1CCCN1CC(=O)N1CCCC1
Show InChI InChI=1/C15H24FN3O2/c16-12-5-9-19(10-12)15(21)13-4-3-8-18(13)11-14(20)17-6-1-2-7-17/h12-13H,1-11H2
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n/an/a 1.67E+4n/an/an/an/an/a37



Delhi Institute of Pharmaceutical Sciences and Research



Assay Description
The enzyme assay was performed using DPP IV drug discovery kit (BML-AK 499; Enzo Life Sciences, Plymouth Meeting, PA, USA). The activity of test com...


Chem Biol Drug Des 82: 156-66 (2013)


Article DOI: 10.1111/cbdd.12142
BindingDB Entry DOI: 10.7270/Q2ZC81H8
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461237
PNG
(CHEMBL4226863)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(O)cc3)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C28H27N3O3/c1-3-30(4-2)22-13-10-20-16-24(28(33)34-27(20)17-22)25-18-26(19-11-14-23(32)15-12-19)31(29-25)21-8-6-5-7-9-21/h5-17,26,32H,3-4,18H2,1-2H3
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n/an/a 1.75E+4n/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)
BDBM50461229
PNG
(CHEMBL4228490)
Show SMILES CCN(CC)c1ccc2cc(C3=NNC(C3)c3ccc(Cl)cc3)c(=O)oc2c1
Show InChI InChI=1S/C22H22ClN3O2/c1-3-26(4-2)17-10-7-15-11-18(22(27)28-21(15)12-17)20-13-19(24-25-20)14-5-8-16(23)9-6-14/h5-12,19,24H,3-4,13H2,1-2H3
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n/an/a 1.86E+4n/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)
BDBM50461239
PNG
(CHEMBL4227712)
Show SMILES CCN(CC)c1ccc2cc(C3=NNC(C3)c3ccc(cc3)[N+]([O-])=O)c(=O)oc2c1
Show InChI InChI=1S/C22H22N4O4/c1-3-25(4-2)17-10-7-15-11-18(22(27)30-21(15)12-17)20-13-19(23-24-20)14-5-8-16(9-6-14)26(28)29/h5-12,19,23H,3-4,13H2,1-2H3
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n/an/a 1.97E+4n/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)
BDBM50461233
PNG
(CHEMBL4224976)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(cc3)[N+]([O-])=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C28H26N4O4/c1-3-30(4-2)23-15-12-20-16-24(28(33)36-27(20)17-23)25-18-26(19-10-13-22(14-11-19)32(34)35)31(29-25)21-8-6-5-7-9-21/h5-17,26H,3-4,18H2,1-2H3
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n/an/a 2.09E+4n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM106757
PNG
([1-(2-Diethylamino-ethyl)-pyrrolidin-2-yl]-(3-fluo...)
Show SMILES CCN(CC)CCN1CCCC1C(=O)N1CCC(F)C1
Show InChI InChI=1/C15H28FN3O/c1-3-17(4-2)10-11-18-8-5-6-14(18)15(20)19-9-7-13(16)12-19/h13-14H,3-12H2,1-2H3
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n/an/a 2.38E+4n/an/an/an/an/a37



Delhi Institute of Pharmaceutical Sciences and Research



Assay Description
The enzyme assay was performed using DPP IV drug discovery kit (BML-AK 499; Enzo Life Sciences, Plymouth Meeting, PA, USA). The activity of test com...


Chem Biol Drug Des 82: 156-66 (2013)


Article DOI: 10.1111/cbdd.12142
BindingDB Entry DOI: 10.7270/Q2ZC81H8
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50461237
PNG
(CHEMBL4226863)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(O)cc3)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C28H27N3O3/c1-3-30(4-2)22-13-10-20-16-24(28(33)34-27(20)17-22)25-18-26(19-11-14-23(32)15-12-19)31(29-25)21-8-6-5-7-9-21/h5-17,26,32H,3-4,18H2,1-2H3
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n/an/a 2.53E+4n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50461225
PNG
(CHEMBL4224867)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(O)cc3)C(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C29H27N3O4/c1-3-31(4-2)22-13-10-21-16-24(29(35)36-27(21)17-22)25-18-26(19-11-14-23(33)15-12-19)32(30-25)28(34)20-8-6-5-7-9-20/h5-17,26,33H,3-4,18H2,1-2H3
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n/an/a 2.67E+4n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461236
PNG
(CHEMBL4228011)
Show SMILES CCN(CC)c1ccc2cc(C3=NNC(C3)c3ccc(O)cc3)c(=O)oc2c1
Show InChI InChI=1S/C22H23N3O3/c1-3-25(4-2)16-8-5-15-11-18(22(27)28-21(15)12-16)20-13-19(23-24-20)14-6-9-17(26)10-7-14/h5-12,19,23,26H,3-4,13H2,1-2H3
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n/an/a 2.67E+4n/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)
BDBM50461232
PNG
(CHEMBL4227123)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(F)cc3)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C28H26FN3O2/c1-3-31(4-2)23-15-12-20-16-24(28(33)34-27(20)17-23)25-18-26(19-10-13-21(29)14-11-19)32(30-25)22-8-6-5-7-9-22/h5-17,26H,3-4,18H2,1-2H3
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n/an/a 2.69E+4n/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)
BDBM50461229
PNG
(CHEMBL4228490)
Show SMILES CCN(CC)c1ccc2cc(C3=NNC(C3)c3ccc(Cl)cc3)c(=O)oc2c1
Show InChI InChI=1S/C22H22ClN3O2/c1-3-26(4-2)17-10-7-15-11-18(22(27)28-21(15)12-17)20-13-19(24-25-20)14-5-8-16(23)9-6-14/h5-12,19,24H,3-4,13H2,1-2H3
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n/an/a 2.71E+4n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50461236
PNG
(CHEMBL4228011)
Show SMILES CCN(CC)c1ccc2cc(C3=NNC(C3)c3ccc(O)cc3)c(=O)oc2c1
Show InChI InChI=1S/C22H23N3O3/c1-3-25(4-2)16-8-5-15-11-18(22(27)28-21(15)12-16)20-13-19(23-24-20)14-6-9-17(26)10-7-14/h5-12,19,23,26H,3-4,13H2,1-2H3
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n/an/a 2.99E+4n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM106758
PNG
({1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl}(3- flu...)
Show SMILES CN(C)CCN1CCCC1C(=O)N1CCC(F)C1
Show InChI InChI=1/C13H24FN3O/c1-15(2)8-9-16-6-3-4-12(16)13(18)17-7-5-11(14)10-17/h11-12H,3-10H2,1-2H3
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n/an/a 3.02E+4n/an/an/an/an/a37



Delhi Institute of Pharmaceutical Sciences and Research



Assay Description
The enzyme assay was performed using DPP IV drug discovery kit (BML-AK 499; Enzo Life Sciences, Plymouth Meeting, PA, USA). The activity of test com...


Chem Biol Drug Des 82: 156-66 (2013)


Article DOI: 10.1111/cbdd.12142
BindingDB Entry DOI: 10.7270/Q2ZC81H8
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50461239
PNG
(CHEMBL4227712)
Show SMILES CCN(CC)c1ccc2cc(C3=NNC(C3)c3ccc(cc3)[N+]([O-])=O)c(=O)oc2c1
Show InChI InChI=1S/C22H22N4O4/c1-3-25(4-2)17-10-7-15-11-18(22(27)30-21(15)12-17)20-13-19(23-24-20)14-5-8-16(9-6-14)26(28)29/h5-12,19,23H,3-4,13H2,1-2H3
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n/an/a 3.04E+4n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50461232
PNG
(CHEMBL4227123)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(F)cc3)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C28H26FN3O2/c1-3-31(4-2)23-15-12-20-16-24(28(33)34-27(20)17-23)25-18-26(19-10-13-21(29)14-11-19)32(30-25)22-8-6-5-7-9-22/h5-17,26H,3-4,18H2,1-2H3
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n/an/a 3.38E+4n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461230
PNG
(CHEMBL4224721)
Show SMILES CCN(CC)c1ccc2cc(C3=NNC(C3)c3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C22H22FN3O2/c1-3-26(4-2)17-10-7-15-11-18(22(27)28-21(15)12-17)20-13-19(24-25-20)14-5-8-16(23)9-6-14/h5-12,19,24H,3-4,13H2,1-2H3
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n/an/a 3.42E+4n/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)
BDBM50461233
PNG
(CHEMBL4224976)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(cc3)[N+]([O-])=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C28H26N4O4/c1-3-30(4-2)23-15-12-20-16-24(28(33)36-27(20)17-23)25-18-26(19-10-13-22(14-11-19)32(34)35)31(29-25)21-8-6-5-7-9-21/h5-17,26H,3-4,18H2,1-2H3
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n/an/a 4.16E+4n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50461230
PNG
(CHEMBL4224721)
Show SMILES CCN(CC)c1ccc2cc(C3=NNC(C3)c3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C22H22FN3O2/c1-3-26(4-2)17-10-7-15-11-18(22(27)28-21(15)12-17)20-13-19(24-25-20)14-5-8-16(23)9-6-14/h5-12,19,24H,3-4,13H2,1-2H3
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n/an/a 4.45E+4n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461228
PNG
(CHEMBL4226325)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccccc3)C(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C29H27N3O3/c1-3-31(4-2)23-16-15-22-17-24(29(34)35-27(22)18-23)25-19-26(20-11-7-5-8-12-20)32(30-25)28(33)21-13-9-6-10-14-21/h5-18,26H,3-4,19H2,1-2H3
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n/an/a>1.00E+5n/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)
BDBM50461231
PNG
(CHEMBL4228548)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccccc3)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C28H27N3O2/c1-3-30(4-2)23-16-15-21-17-24(28(32)33-27(21)18-23)25-19-26(20-11-7-5-8-12-20)31(29-25)22-13-9-6-10-14-22/h5-18,26H,3-4,19H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50461238
PNG
(CHEMBL4224700)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(Cl)cc3)C(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C29H26ClN3O3/c1-3-32(4-2)23-15-12-21-16-24(29(35)36-27(21)17-23)25-18-26(19-10-13-22(30)14-11-19)33(31-25)28(34)20-8-6-5-7-9-20/h5-17,26H,3-4,18H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461238
PNG
(CHEMBL4224700)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccc(Cl)cc3)C(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C29H26ClN3O3/c1-3-32(4-2)23-15-12-21-16-24(29(35)36-27(21)17-23)25-18-26(19-10-13-22(30)14-11-19)33(31-25)28(34)20-8-6-5-7-9-20/h5-17,26H,3-4,18H2,1-2H3
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n/an/a>1.00E+5n/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)
BDBM50461227
PNG
(CHEMBL4228230)
Show SMILES CCN(CC)c1ccc2cc(C3=NNC(C3)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C22H23N3O2/c1-3-25(4-2)17-11-10-16-12-18(22(26)27-21(16)13-17)20-14-19(23-24-20)15-8-6-5-7-9-15/h5-13,19,23H,3-4,14H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50461228
PNG
(CHEMBL4226325)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccccc3)C(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C29H27N3O3/c1-3-31(4-2)23-16-15-22-17-24(29(34)35-27(22)18-23)25-19-26(20-11-7-5-8-12-20)32(30-25)28(33)21-13-9-6-10-14-21/h5-18,26H,3-4,19H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Delhi Institute of Pharmaceutical Sciences and Research

Curated by ChEMBL


Assay Description
Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in ...


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

More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50461231
PNG
(CHEMBL4228548)
Show SMILES CCN(CC)c1ccc2cc(C3=NN(C(C3)c3ccccc3)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C28H27N3O2/c1-3-30(4-2)23-16-15-21-17-24(28(32)33-27(21)18-23)25-19-26(20-11-7-5-8-12-20)31(29-25)22-13-9-6-10-14-22/h5-18,26H,3-4,19H2,1-2H3
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n/an/a>1.00E+5n/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)
BDBM50461227
PNG
(CHEMBL4228230)
Show SMILES CCN(CC)c1ccc2cc(C3=NNC(C3)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C22H23N3O2/c1-3-25(4-2)17-11-10-16-12-18(22(26)27-21(16)13-17)20-14-19(23-24-20)15-8-6-5-7-9-15/h5-13,19,23H,3-4,14H2,1-2H3
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n/an/a>1.00E+5n/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