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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Histidine-rich protein' and Ligand = 'BDBM22985'   
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
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
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
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
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 1.50E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization


J Med Chem 42: 4630-9 (1999)

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 1.54E+4n/an/an/an/an/an/a



Kyoto Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation after 16 hrs


Antimicrob Agents Chemother 51: 2842-7 (2007)


Article DOI: 10.1128/AAC.00288-07
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 3.80E+4n/an/an/an/an/an/a



The University of Liverpool

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation


J Med Chem 45: 4975-83 (2002)

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 4.63E+4n/an/an/an/an/an/a



Unit£ de Catalyse et Chimie du Solide - UMR CNRS 8181

Curated by ChEMBL


Assay Description
Inhibition of lipid-induced beta-hematin formation


J Med Chem 49: 4707-14 (2006)


Article DOI: 10.1021/jm060259d
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 6.00E+4n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
Inhibition of 1-monooleoyl glycerol induced beta-hematin formation


Bioorg Med Chem Lett 16: 31-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.058
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 7.50E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation in Plasmodium falciparum


Bioorg Med Chem Lett 11: 2075-7 (2001)

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 7.65E+4n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
Inhibition of 1-monooleoyl glycerol (MOG) induced beta-hematin formation


Bioorg Med Chem Lett 13: 3783-7 (2003)

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 2.52E+5n/an/an/an/an/an/a



Kyoto Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay


Antimicrob Agents Chemother 51: 350-3 (2006)


Article DOI: 10.1128/AAC.00985-06
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 5.90E+6n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul (UFRGS)

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation


Bioorg Med Chem 16: 771-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.031
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 9.10E+8n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation by BHIA assay


Bioorg Med Chem Lett 16: 5384-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.060
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 1.69E+9n/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation


J Med Chem 50: 595-8 (2007)


Article DOI: 10.1021/jm061429p
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 2.56E+9n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation by BHIA assay


J Nat Prod 68: 674-7 (2005)


Article DOI: 10.1021/np0496284
More data for this
Ligand-Target Pair