BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.4
BDBM234528

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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 IV [1-448]


(Plasmodium falciparum)
BDBM234528
PNG
(US9353089, 207)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCNCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H26N4O3/c1-28-18-7-3-15(4-8-18)22(16-5-9-19(29-2)10-6-16)20(27)26(21(23)25-22)17-11-13-24-14-12-17/h3-10,17,24H,11-14H2,1-2H3,(H2,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 192n/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)
BDBM234528
PNG
(US9353089, 207)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCNCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H26N4O3/c1-28-18-7-3-15(4-8-18)22(16-5-9-19(29-2)10-6-16)20(27)26(21(23)25-22)17-11-13-24-14-12-17/h3-10,17,24H,11-14H2,1-2H3,(H2,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 505n/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)
BDBM234528
PNG
(US9353089, 207)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCNCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H26N4O3/c1-28-18-7-3-15(4-8-18)22(16-5-9-19(29-2)10-6-16)20(27)26(21(23)25-22)17-11-13-24-14-12-17/h3-10,17,24H,11-14H2,1-2H3,(H2,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 505n/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