BDBM50173733 CHEMBL410049::L-mannitol derivative

SMILES CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)[C@H](OC\C=C\Br)[C@H](O)[C@@H](O)[C@@H](OC\C=C\Br)C(=O)NNC(=O)c1ccc(cc1)C(C)(C)C

InChI Key InChIKey=GBIFQWZWWHMHND-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50173733   

TargetPlasmepsin I(malaria parasite P. falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50173733(L-mannitol derivative | CHEMBL410049)
Affinity DataKi:  478nMAssay Description:Inhibition constant against plasmepsin-4 of Plasmodium falciparumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50173733(L-mannitol derivative | CHEMBL410049)
Affinity DataKi:  1.50E+3nMAssay Description:Inhibition constant against plasmepsin-2 of Plasmodium falciparum 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPlasmepsin I(malaria parasite P. falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50173733(L-mannitol derivative | CHEMBL410049)
Affinity DataKi:  1.84E+3nMAssay Description:Inhibition constant against plasmepsin-1 of Plasmodium falciparum, 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin D(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50173733(L-mannitol derivative | CHEMBL410049)
Affinity DataKi:  3.00E+3nMpH: 4.5Assay Description:Inhibition constant against pro-cathepsin D (50 ng/mL) of human liver upon incubation at pH 4.5 for 10 min using DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed