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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50041595   
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)
BDBM50412261
PNG
(CHEMBL330383)
Show SMILES COc1cc(NC(C)CCCN)c2nc(ccc2c1)C(C)(C)C
Show InChI InChI=1S/C19H29N3O/c1-13(7-6-10-20)21-16-12-15(23-5)11-14-8-9-17(19(2,3)4)22-18(14)16/h8-9,11-13,21H,6-7,10,20H2,1-5H3
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/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
BindingDB Entry DOI: 10.7270/Q2CZ38DH
More data for this
Ligand-Target Pair
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
PDB
UniChem

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Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2CZ38DH
More data for this
Ligand-Target Pair