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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM8010'   
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 I


(Plasmodium falciparum)
BDBM8010
PNG
((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\C=C\c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\C=C\c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C46H48N2O8/c49-37-29-33-23-11-13-25-35(33)39(37)47-45(53)43(55-27-15-3-9-21-31-17-5-1-6-18-31)41(51)42(52)44(56-28-16-4-10-22-32-19-7-2-8-20-32)46(54)48-40-36-26-14-12-24-34(36)30-38(40)50/h1-26,37-44,49-52H,27-30H2,(H,47,53)(H,48,54)/b15-3+,16-4+,21-9+,22-10+/t37-,38-,39+,40+,41-,42-,43-,44-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 110-22 (2004)


Article DOI: 10.1021/jm030933g
BindingDB Entry DOI: 10.7270/Q2RV0KX6
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM8010
PNG
((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\C=C\c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\C=C\c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C46H48N2O8/c49-37-29-33-23-11-13-25-35(33)39(37)47-45(53)43(55-27-15-3-9-21-31-17-5-1-6-18-31)41(51)42(52)44(56-28-16-4-10-22-32-19-7-2-8-20-32)46(54)48-40-36-26-14-12-24-34(36)30-38(40)50/h1-26,37-44,49-52H,27-30H2,(H,47,53)(H,48,54)/b15-3+,16-4+,21-9+,22-10+/t37-,38-,39+,40+,41-,42-,43-,44-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 110-22 (2004)


Article DOI: 10.1021/jm030933g
BindingDB Entry DOI: 10.7270/Q2RV0KX6
More data for this
Ligand-Target Pair