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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM234527'   
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
Plasmepsin II


(Plasmodium falciparum)
BDBM234527
PNG
(US9353089, 206)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a4.525



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM234527
PNG
(US9353089, 206)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.76n/an/an/an/a4.525



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair