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PubMed code 17263523

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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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MCE
KEGG
PC cid
PC sid
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Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2RF5W85
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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UniChem

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Article
PubMed
n/an/a 2.50E+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
BindingDB Entry DOI: 10.7270/Q2RF5W85
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50203749
PNG
((+/-)-1-((4-chlorophenyl)(phenyl)(4-(pyrrolidin-1-...)
Show SMILES Clc1ccc(cc1)C(c1ccccc1)(c1ccc(CN2CCCC2)cc1)n1ccnc1
Show InChI InChI=1S/C27H26ClN3/c28-26-14-12-25(13-15-26)27(31-19-16-29-21-31,23-6-2-1-3-7-23)24-10-8-22(9-11-24)20-30-17-4-5-18-30/h1-3,6-16,19,21H,4-5,17-18,20H2
UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.53E+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
BindingDB Entry DOI: 10.7270/Q2RF5W85
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%