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Compile Data Set for Download or QSAR

Found 164 hits of ic50 for UniProtKB: P05227   
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
Histidine-rich protein


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/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 4.90n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003656
PNG
(CHEMBL452640)
Show SMILES Clc1ccc2c(NCCNC(=S)Nc3ccccc3Cl)ccnc2c1
Show InChI InChI=1S/C18H16Cl2N4S/c19-12-5-6-13-15(7-8-21-17(13)11-12)22-9-10-23-18(25)24-16-4-2-1-3-14(16)20/h1-8,11H,9-10H2,(H,21,22)(H2,23,24,25)
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n/an/a 5.60n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003657
PNG
(CHEMBL466905)
Show SMILES Clc1ccc2c(NCCCNC(=S)Nc3ccccc3)ccnc2c1
Show InChI InChI=1S/C19H19ClN4S/c20-14-7-8-16-17(9-12-22-18(16)13-14)21-10-4-11-23-19(25)24-15-5-2-1-3-6-15/h1-3,5-9,12-13H,4,10-11H2,(H,21,22)(H2,23,24,25)
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n/an/a 5.70n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003658
PNG
(CHEMBL466906)
Show SMILES CCCCNC(=S)NCCCNc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C17H23ClN4S/c1-2-3-8-21-17(23)22-10-4-9-19-15-7-11-20-16-12-13(18)5-6-14(15)16/h5-7,11-12H,2-4,8-10H2,1H3,(H,19,20)(H2,21,22,23)
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n/an/a 6.20n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003679
PNG
(CHEMBL468136)
Show SMILES Clc1ccc2c(NCCCN3C(=O)C(=O)S\C3=N/CC=C)ccnc2c1
Show InChI InChI=1S/C18H17ClN4O2S/c1-2-7-22-18-23(16(24)17(25)26-18)10-3-8-20-14-6-9-21-15-11-12(19)4-5-13(14)15/h2,4-6,9,11H,1,3,7-8,10H2,(H,20,21)/b22-18-
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n/an/a 6.5n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003661
PNG
(CHEMBL466910)
Show SMILES Clc1ccc2c(NCCCNC(=S)Nc3ccccc3Cl)ccnc2c1
Show InChI InChI=1S/C19H18Cl2N4S/c20-13-6-7-14-16(8-11-23-18(14)12-13)22-9-3-10-24-19(26)25-17-5-2-1-4-15(17)21/h1-2,4-8,11-12H,3,9-10H2,(H,22,23)(H2,24,25,26)
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n/an/a 6.5n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123594
PNG
((7-Chloro-quinolin-4-yl)-{3-[4-(3-dibutylamino-pro...)
Show SMILES CCCCN(CCCC)CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C27H44ClN5/c1-3-5-14-31(15-6-4-2)17-8-18-33-21-19-32(20-22-33)16-7-12-29-26-11-13-30-27-23-24(28)9-10-25(26)27/h9-11,13,23H,3-8,12,14-22H2,1-2H3,(H,29,30)
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n/an/a 6.70n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003652
PNG
(CHEMBL466897)
Show SMILES CCCCNC(=S)NCCNc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C16H21ClN4S/c1-2-3-7-20-16(22)21-10-9-19-14-6-8-18-15-11-12(17)4-5-13(14)15/h4-6,8,11H,2-3,7,9-10H2,1H3,(H,18,19)(H2,20,21,22)
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n/an/a 7.10n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003654
PNG
(CHEMBL466898)
Show SMILES Clc1ccc2c(NCCNC(=S)NCC=C)ccnc2c1
Show InChI InChI=1S/C15H17ClN4S/c1-2-6-19-15(21)20-9-8-18-13-5-7-17-14-10-11(16)3-4-12(13)14/h2-5,7,10H,1,6,8-9H2,(H,17,18)(H2,19,20,21)
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n/an/a 7.30n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003685
PNG
(CHEMBL466229)
Show SMILES Clc1ccc2c(NCCCN3C(=S)N(C(=O)C3=O)c3ccccc3)ccnc2c1
Show InChI InChI=1S/C21H17ClN4O2S/c22-14-7-8-16-17(9-11-24-18(16)13-14)23-10-4-12-25-19(27)20(28)26(21(25)29)15-5-2-1-3-6-15/h1-3,5-9,11,13H,4,10,12H2,(H,23,24)
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n/an/a 7.80n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003678
PNG
(CHEMBL467934)
Show SMILES CCCC\N=C1/SC(=O)C(=O)N1CCCNc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C19H21ClN4O2S/c1-2-3-8-23-19-24(17(25)18(26)27-19)11-4-9-21-15-7-10-22-16-12-13(20)5-6-14(15)16/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,21,22)/b23-19-
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n/an/a 8.30n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003676
PNG
(CHEMBL511925)
Show SMILES Clc1ccc2c(NCCCN3\C(SC(=O)C3=O)=N\c3ccccc3)ccnc2c1
Show InChI InChI=1S/C21H17ClN4O2S/c22-14-7-8-16-17(9-11-24-18(16)13-14)23-10-4-12-26-19(27)20(28)29-21(26)25-15-5-2-1-3-6-15/h1-3,5-9,11,13H,4,10,12H2,(H,23,24)/b25-21-
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n/an/a 8.40n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003673
PNG
(CHEMBL467521)
Show SMILES Clc1ccc2c(NCCN3C(=O)C(=O)S\C3=N/CC=C)ccnc2c1
Show InChI InChI=1S/C17H15ClN4O2S/c1-2-6-21-17-22(15(23)16(24)25-17)9-8-20-13-5-7-19-14-10-11(18)3-4-12(13)14/h2-5,7,10H,1,6,8-9H2,(H,19,20)/b21-17-
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n/an/a 8.40n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003686
PNG
(CHEMBL466436)
Show SMILES CCCCN1C(=O)C(=O)N(CCCNc2ccnc3cc(Cl)ccc23)C1=S
Show InChI InChI=1S/C19H21ClN4O2S/c1-2-3-10-23-17(25)18(26)24(19(23)27)11-4-8-21-15-7-9-22-16-12-13(20)5-6-14(15)16/h5-7,9,12H,2-4,8,10-11H2,1H3,(H,21,22)
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n/an/a 8.70n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003675
PNG
(CHEMBL511402)
Show SMILES Clc1ccc2c(NCCN3\C(SC(=O)C3=O)=N\c3ccccc3Cl)ccnc2c1
Show InChI InChI=1S/C20H14Cl2N4O2S/c21-12-5-6-13-15(7-8-23-17(13)11-12)24-9-10-26-18(27)19(28)29-20(26)25-16-4-2-1-3-14(16)22/h1-8,11H,9-10H2,(H,23,24)/b25-20-
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n/an/a 8.80n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003688
PNG
(CHEMBL466127)
Show SMILES Clc1ccc2c(NCCCN3C(=S)N(C(=O)C3=O)c3ccccc3Cl)ccnc2c1
Show InChI InChI=1S/C21H16Cl2N4O2S/c22-13-6-7-14-16(8-10-25-17(14)12-13)24-9-3-11-26-19(28)20(29)27(21(26)30)18-5-2-1-4-15(18)23/h1-2,4-8,10,12H,3,9,11H2,(H,24,25)
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n/an/a 9n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003660
PNG
(CHEMBL467107)
Show SMILES Clc1ccc2c(NCCCNC(=S)NCC=C)ccnc2c1
Show InChI InChI=1S/C16H19ClN4S/c1-2-7-20-16(22)21-9-3-8-18-14-6-10-19-15-11-12(17)4-5-13(14)15/h2,4-6,10-11H,1,3,7-9H2,(H,18,19)(H2,20,21,22)
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n/an/a 9.20n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003682
PNG
(CHEMBL512253)
Show SMILES CCCCN1C(=O)C(=O)N(CCNc2ccnc3cc(Cl)ccc23)C1=S
Show InChI InChI=1S/C18H19ClN4O2S/c1-2-3-9-22-16(24)17(25)23(18(22)26)10-8-21-14-6-7-20-15-11-12(19)4-5-13(14)15/h4-7,11H,2-3,8-10H2,1H3,(H,20,21)
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n/an/a 9.30n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003683
PNG
(CHEMBL513473)
Show SMILES Clc1ccc2c(NCCN3C(=O)C(=O)N(CC=C)C3=S)ccnc2c1
Show InChI InChI=1S/C17H15ClN4O2S/c1-2-8-21-15(23)16(24)22(17(21)25)9-7-20-13-5-6-19-14-10-11(18)3-4-12(13)14/h2-6,10H,1,7-9H2,(H,19,20)
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n/an/a 9.40n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003672
PNG
(CHEMBL512078)
Show SMILES CCCC\N=C1/SC(=O)C(=O)N1CCNc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H19ClN4O2S/c1-2-3-7-22-18-23(16(24)17(25)26-18)10-9-21-14-6-8-20-15-11-12(19)4-5-13(14)15/h4-6,8,11H,2-3,7,9-10H2,1H3,(H,20,21)/b22-18-
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n/an/a 9.5n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003680
PNG
(CHEMBL512991)
Show SMILES Clc1ccc2c(NCCCN3\C(SC(=O)C3=O)=N\c3ccccc3Cl)ccnc2c1
Show InChI InChI=1S/C21H16Cl2N4O2S/c22-13-6-7-14-16(8-10-25-18(14)12-13)24-9-3-11-27-19(28)20(29)30-21(27)26-17-5-2-1-4-15(17)23/h1-2,4-8,10,12H,3,9,11H2,(H,24,25)/b26-21-
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n/an/a 9.70n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003671
PNG
(CHEMBL466911)
Show SMILES Clc1ccc2c(NCCN3\C(SC(=O)C3=O)=N\c3ccccc3)ccnc2c1
Show InChI InChI=1S/C20H15ClN4O2S/c21-13-6-7-15-16(8-9-22-17(15)12-13)23-10-11-25-18(26)19(27)28-20(25)24-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,22,23)/b24-20-
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n/an/a 9.80n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003651
PNG
(CHEMBL443507)
Show SMILES Clc1ccc2c(NCCNC(=S)Nc3ccccc3)ccnc2c1
Show InChI InChI=1S/C18H17ClN4S/c19-13-6-7-15-16(8-9-20-17(15)12-13)21-10-11-22-18(24)23-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21)(H2,22,23,24)
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n/an/a 9.90n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003681
PNG
(CHEMBL468137)
Show SMILES Clc1ccc2c(NCCN3C(=S)N(C(=O)C3=O)c3ccccc3)ccnc2c1
Show InChI InChI=1S/C20H15ClN4O2S/c21-13-6-7-15-16(8-9-22-17(15)12-13)23-10-11-24-18(26)19(27)25(20(24)28)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,22,23)
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n/an/a 11n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003687
PNG
(CHEMBL466027)
Show SMILES Clc1ccc2c(NCCCN3C(=O)C(=O)N(CC=C)C3=S)ccnc2c1
Show InChI InChI=1S/C18H17ClN4O2S/c1-2-9-22-16(24)17(25)23(18(22)26)10-3-7-20-14-6-8-21-15-11-12(19)4-5-13(14)15/h2,4-6,8,11H,1,3,7,9-10H2,(H,20,21)
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n/an/a 12n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003684
PNG
(CHEMBL466228)
Show SMILES Clc1ccc2c(NCCN3C(=S)N(C(=O)C3=O)c3ccccc3Cl)ccnc2c1
Show InChI InChI=1S/C20H14Cl2N4O2S/c21-12-5-6-13-15(7-8-23-16(13)11-12)24-9-10-25-18(27)19(28)26(20(25)29)17-4-2-1-3-14(17)22/h1-8,11H,9-10H2,(H,23,24)
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n/an/a 13n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123579
PNG
(CHEMBL345958 | [3-(4-{3-[Bis-(4-nitro-benzyl)-amin...)
Show SMILES [O-][N+](=O)c1ccc(CN(CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C33H38ClN7O4/c34-28-7-12-31-32(13-15-36-33(31)23-28)35-14-1-16-37-19-21-38(22-20-37)17-2-18-39(24-26-3-8-29(9-4-26)40(42)43)25-27-5-10-30(11-6-27)41(44)45/h3-13,15,23H,1-2,14,16-22,24-25H2,(H,35,36)
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n/an/a 15n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123587
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(cyclopropylmeth...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNCC4CC4)CC3)ccnc2c1
Show InChI InChI=1S/C23H34ClN5/c24-20-5-6-21-22(7-10-27-23(21)17-20)26-9-2-12-29-15-13-28(14-16-29)11-1-8-25-18-19-3-4-19/h5-7,10,17,19,25H,1-4,8-9,11-16,18H2,(H,26,27)
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n/an/a 23.3n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50409777
PNG
(CHEMBL2111198)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN[C@@H]4Cc5ccccc5CN4)CC3)ccnc2c1
Show InChI InChI=1S/C28H37ClN6/c29-24-7-8-25-26(9-12-31-27(25)20-24)30-10-3-13-34-15-17-35(18-16-34)14-4-11-32-28-19-22-5-1-2-6-23(22)21-33-28/h1-2,5-9,12,20,28,32-33H,3-4,10-11,13-19,21H2,(H,30,31)/t28-/m0/s1
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n/an/a 23.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123575
PNG
((3-{4-[3-(Bis-cyclopropylmethyl-amino)-propyl]-pip...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN(CC4CC4)CC4CC4)CC3)ccnc2c1
Show InChI InChI=1S/C27H40ClN5/c28-24-7-8-25-26(9-11-30-27(25)19-24)29-10-1-12-31-15-17-32(18-16-31)13-2-14-33(20-22-3-4-22)21-23-5-6-23/h7-9,11,19,22-23H,1-6,10,12-18,20-21H2,(H,29,30)
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n/an/a 27.1n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123577
PNG
(CHEMBL152862 | Cyclopropanecarboxylic acid (3-{4-[...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNC(=O)C4CC4)CC3)ccnc2c1
Show InChI InChI=1S/C23H32ClN5O/c24-19-5-6-20-21(7-10-26-22(20)17-19)25-8-1-11-28-13-15-29(16-14-28)12-2-9-27-23(30)18-3-4-18/h5-7,10,17-18H,1-4,8-9,11-16H2,(H,25,26)(H,27,30)
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n/an/a 34n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123561
PNG
(CHEMBL149751 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C27H34ClN5O2/c1-35-23-7-4-21(5-8-23)27(34)31-12-3-15-33-18-16-32(17-19-33)14-2-11-29-25-10-13-30-26-20-22(28)6-9-24(25)26/h4-10,13,20H,2-3,11-12,14-19H2,1H3,(H,29,30)(H,31,34)
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n/an/a 34.2n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123569
PNG
(CHEMBL357111 | N-(3-{4-[3-(7-Chloro-quinolin-4-yla...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C26H31ClN6O3/c27-21-5-8-23-24(9-12-29-25(23)19-21)28-10-1-13-31-15-17-32(18-16-31)14-2-11-30-26(34)20-3-6-22(7-4-20)33(35)36/h3-9,12,19H,1-2,10-11,13-18H2,(H,28,29)(H,30,34)
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n/an/a 35.6n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123558
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(3-phenoxy-benzy...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNCc4cccc(Oc5ccccc5)c4)CC3)ccnc2c1
Show InChI InChI=1S/C32H38ClN5O/c33-27-11-12-30-31(13-16-36-32(30)24-27)35-15-6-18-38-21-19-37(20-22-38)17-5-14-34-25-26-7-4-10-29(23-26)39-28-8-2-1-3-9-28/h1-4,7-13,16,23-24,34H,5-6,14-15,17-22,25H2,(H,35,36)
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n/an/a 37.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123571
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(4-nitro-benzyla...)
Show SMILES [O-][N+](=O)c1ccc(CNCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1
Show InChI InChI=1S/C26H33ClN6O2/c27-22-5-8-24-25(9-12-30-26(24)19-22)29-11-2-14-32-17-15-31(16-18-32)13-1-10-28-20-21-3-6-23(7-4-21)33(34)35/h3-9,12,19,28H,1-2,10-11,13-18,20H2,(H,29,30)
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n/an/a 40n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123562
PNG
(CHEMBL152635 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES CCCC(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C23H34ClN5O/c1-2-5-23(30)27-10-4-13-29-16-14-28(15-17-29)12-3-9-25-21-8-11-26-22-18-19(24)6-7-20(21)22/h6-8,11,18H,2-5,9-10,12-17H2,1H3,(H,25,26)(H,27,30)
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n/an/a 40.2n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123565
PNG
((7-Chloro-quinolin-4-yl)-[3-(4-{3-[(quinolin-4-ylm...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNCc4ccnc5ccccc45)CC3)ccnc2c1
Show InChI InChI=1S/C29H35ClN6/c30-24-7-8-26-28(10-14-34-29(26)21-24)32-12-4-16-36-19-17-35(18-20-36)15-3-11-31-22-23-9-13-33-27-6-2-1-5-25(23)27/h1-2,5-10,13-14,21,31H,3-4,11-12,15-20,22H2,(H,32,34)
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n/an/a 42.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123572
PNG
((3-{4-[3-(Bis-quinolin-4-ylmethyl-amino)-propyl]-p...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN(Cc4ccnc5ccccc45)Cc4ccnc5ccccc45)CC3)ccnc2c1
Show InChI InChI=1S/C39H42ClN7/c40-32-11-12-35-38(15-19-44-39(35)27-32)41-16-5-20-45-23-25-46(26-24-45)21-6-22-47(28-30-13-17-42-36-9-3-1-7-33(30)36)29-31-14-18-43-37-10-4-2-8-34(31)37/h1-4,7-15,17-19,27H,5-6,16,20-26,28-29H2,(H,41,44)
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n/an/a 43.4n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123613
PNG
(CHEMBL152886 | [3-(4-{3-[Bis-(4-methoxy-benzyl)-am...)
Show SMILES COc1ccc(CN(CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C35H44ClN5O2/c1-42-31-10-5-28(6-11-31)26-41(27-29-7-12-32(43-2)13-8-29)20-4-19-40-23-21-39(22-24-40)18-3-16-37-34-15-17-38-35-25-30(36)9-14-33(34)35/h5-15,17,25H,3-4,16,18-24,26-27H2,1-2H3,(H,37,38)
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n/an/a 47.8n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123582
PNG
(CHEMBL422682 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNC(=O)c4ccnc5ccccc45)CC3)ccnc2c1
Show InChI InChI=1S/C29H33ClN6O/c30-22-7-8-25-27(10-14-33-28(25)21-22)31-11-3-15-35-17-19-36(20-18-35)16-4-12-34-29(37)24-9-13-32-26-6-2-1-5-23(24)26/h1-2,5-10,13-14,21H,3-4,11-12,15-20H2,(H,31,33)(H,34,37)
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n/an/a 50.6n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123566
PNG
(CHEMBL356249 | N-(3-(4-(3-(butylamino)propyl)piper...)
Show SMILES CCCCNCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C23H36ClN5/c1-2-3-9-25-10-4-13-28-15-17-29(18-16-28)14-5-11-26-22-8-12-27-23-19-20(24)6-7-21(22)23/h6-8,12,19,25H,2-5,9-11,13-18H2,1H3,(H,26,27)
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n/an/a 50.9n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123585
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(4-methoxy-benzy...)
Show SMILES COc1ccc(CNCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1
Show InChI InChI=1S/C27H36ClN5O/c1-34-24-7-4-22(5-8-24)21-29-11-2-14-32-16-18-33(19-17-32)15-3-12-30-26-10-13-31-27-20-23(28)6-9-25(26)27/h4-10,13,20,29H,2-3,11-12,14-19,21H2,1H3,(H,30,31)
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n/an/a 61.4n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123574
PNG
(CHEMBL346177 | [3-(4-{3-[Bis-(4-phenoxy-benzyl)-am...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN(Cc4ccc(Oc5ccccc5)cc4)Cc4ccc(Oc5ccccc5)cc4)CC3)ccnc2c1
Show InChI InChI=1S/C45H48ClN5O2/c46-38-17-22-43-44(23-25-48-45(43)33-38)47-24-7-26-49-29-31-50(32-30-49)27-8-28-51(34-36-13-18-41(19-14-36)52-39-9-3-1-4-10-39)35-37-15-20-42(21-16-37)53-40-11-5-2-6-12-40/h1-6,9-23,25,33H,7-8,24,26-32,34-35H2,(H,47,48)
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n/an/a 74.9n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/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 76.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123604
PNG
(CHEMBL152266 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNC(=O)c4cccc(Oc5ccccc5)c4)CC3)ccnc2c1
Show InChI InChI=1S/C32H36ClN5O2/c33-26-11-12-29-30(13-16-35-31(29)24-26)34-14-5-17-37-19-21-38(22-20-37)18-6-15-36-32(39)25-7-4-10-28(23-25)40-27-8-2-1-3-9-27/h1-4,7-13,16,23-24H,5-6,14-15,17-22H2,(H,34,35)(H,36,39)
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n/an/a 79n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50202597
PNG
(2-(4-chloro-phenyl)-3-[2-(7-chloroquinolin-4-ylami...)
Show SMILES Clc1ccc(cc1)C1Sc2ccccc2C(=O)N1CCNc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C25H19Cl2N3OS/c26-17-7-5-16(6-8-17)25-30(24(31)20-3-1-2-4-23(20)32-25)14-13-29-21-11-12-28-22-15-18(27)9-10-19(21)22/h1-12,15,25H,13-14H2,(H,28,29)
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n/an/a 240n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin polymerization


J Med Chem 50: 394-8 (2007)


Article DOI: 10.1021/jm061002i
BindingDB Entry DOI: 10.7270/Q24Q7W7N
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50202607
PNG
(3-[3-(7-chloroquinolin-4-ylamino)-propyl]-2-(2,6-d...)
Show SMILES Clc1ccc2c(NCCCN3C(SCC3=O)c3c(Cl)cccc3Cl)ccnc2c1
Show InChI InChI=1S/C21H18Cl3N3OS/c22-13-5-6-14-17(7-9-26-18(14)11-13)25-8-2-10-27-19(28)12-29-21(27)20-15(23)3-1-4-16(20)24/h1,3-7,9,11,21H,2,8,10,12H2,(H,25,26)
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n/an/a 390n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin polymerization


J Med Chem 50: 394-8 (2007)


Article DOI: 10.1021/jm061002i
BindingDB Entry DOI: 10.7270/Q24Q7W7N
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/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 400n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin polymerization


J Med Chem 50: 394-8 (2007)


Article DOI: 10.1021/jm061002i
BindingDB Entry DOI: 10.7270/Q24Q7W7N
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50202598
PNG
(3-[2-(7-chloroquinolin-4-ylamino)-ethyl]-2-(2,6-di...)
Show SMILES Clc1ccc2c(NCCN3C(SCCC3=O)c3c(Cl)cccc3Cl)ccnc2c1
Show InChI InChI=1S/C21H18Cl3N3OS/c22-13-4-5-14-17(6-8-25-18(14)12-13)26-9-10-27-19(28)7-11-29-21(27)20-15(23)2-1-3-16(20)24/h1-6,8,12,21H,7,9-11H2,(H,25,26)
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n/an/a 450n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin polymerization


J Med Chem 50: 394-8 (2007)


Article DOI: 10.1021/jm061002i
BindingDB Entry DOI: 10.7270/Q24Q7W7N
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50202589
PNG
(2-(4-chloro-phenyl)-3-[3-(7-chloroquinolin-4-ylami...)
Show SMILES Clc1ccc(cc1)C1Sc2ccccc2C(=O)N1CCCNc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C26H21Cl2N3OS/c27-18-8-6-17(7-9-18)26-31(25(32)21-4-1-2-5-24(21)33-26)15-3-13-29-22-12-14-30-23-16-19(28)10-11-20(22)23/h1-2,4-12,14,16,26H,3,13,15H2,(H,29,30)
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n/an/a 460n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin polymerization


J Med Chem 50: 394-8 (2007)


Article DOI: 10.1021/jm061002i
BindingDB Entry DOI: 10.7270/Q24Q7W7N
More data for this
Ligand-Target Pair
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