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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'ayad' and Initial = 'f'   
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 PFHRP-II


(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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PC sid
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PubMed
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)


BindingDB Entry DOI: 10.7270/Q2SB46X9
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50102930
PNG
(CHEMBL66482 | N*4*-(2-{12-[4-(4-Diethylamino-1-met...)
Show SMILES CCN(CC)CCCC(C)Nc1cc(CCCCCCCCCCCCc2cc(NC(C)CCCN(CC)CC)c3ccccc3n2)nc2ccccc12
Show InChI InChI=1S/C48H76N6/c1-7-53(8-2)35-25-27-39(5)49-47-37-41(51-45-33-23-21-31-43(45)47)29-19-17-15-13-11-12-14-16-18-20-30-42-38-48(44-32-22-24-34-46(44)52-42)50-40(6)28-26-36-54(9-3)10-4/h21-24,31-34,37-40H,7-20,25-30,35-36H2,1-6H3,(H,49,51)(H,50,52)
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PubMed
n/an/a 8.60E+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)


BindingDB Entry DOI: 10.7270/Q2SB46X9
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50102931
PNG
(CHEMBL65735 | N*4*-(2-{10-[4-(4-Diethylamino-1-met...)
Show SMILES CCN(CC)CCCC(C)Nc1cc(CCCCCCCCCCc2cc(NC(C)CCCN(CC)CC)c3ccccc3n2)nc2ccccc12
Show InChI InChI=1S/C46H72N6/c1-7-51(8-2)33-23-25-37(5)47-45-35-39(49-43-31-21-19-29-41(43)45)27-17-15-13-11-12-14-16-18-28-40-36-46(42-30-20-22-32-44(42)50-40)48-38(6)26-24-34-52(9-3)10-4/h19-22,29-32,35-38H,7-18,23-28,33-34H2,1-6H3,(H,47,49)(H,48,50)
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n/an/a 9.40E+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)


BindingDB Entry DOI: 10.7270/Q2SB46X9
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50102932
PNG
(CHEMBL62603 | N*4*-(2-{8-[4-(4-Diethylamino-1-meth...)
Show SMILES CCN(CC)CCCC(C)Nc1cc(CCCCCCCCc2cc(NC(C)CCCN(CC)CC)c3ccccc3n2)nc2ccccc12
Show InChI InChI=1S/C44H68N6/c1-7-49(8-2)31-21-23-35(5)45-43-33-37(47-41-29-19-17-27-39(41)43)25-15-13-11-12-14-16-26-38-34-44(40-28-18-20-30-42(40)48-38)46-36(6)24-22-32-50(9-3)10-4/h17-20,27-30,33-36H,7-16,21-26,31-32H2,1-6H3,(H,45,47)(H,46,48)
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PubMed
n/an/a 9.70E+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)


BindingDB Entry DOI: 10.7270/Q2SB46X9
More data for this
Ligand-Target Pair