BDBM7992 (3S,4S)-4-(2H-1,3-benzodioxol-5-ylformamido)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}ethyl]-3-hydroxypentanamide::Benzo[1,3]dioxole-5-carboxylic Acid {(1S,2S)-1-(4-Bromobenzyloxymethyl)-3-[(S)-1-((S)-1-carbamoyl-3-methylbutylcarbamoyl)ethylcarbamoyl]-2-hydroxypropyl}amide::Statine-like inhibitor 31

SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1ccc2OCOc2c1)C(N)=O

InChI Key InChIKey=XVCCDQIRXNWJTO-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 7992   

TargetPlasmepsin I(malaria parasite P. falciparum)
Linkoping University

LigandPNGBDBM7992(Benzo[1,3]dioxole-5-carboxylic Acid {(1S,2S)-1-(4-...)
Affinity DataKi:  29nMAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2006
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Linkoping University

LigandPNGBDBM7992(Benzo[1,3]dioxole-5-carboxylic Acid {(1S,2S)-1-(4-...)
Affinity DataKi:  131nMAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2006
Entry Details Article
PubMed
TargetCathepsin D(Human)
Linkoping University

LigandPNGBDBM7992(Benzo[1,3]dioxole-5-carboxylic Acid {(1S,2S)-1-(4-...)
Affinity DataKi: >5.90E+3nMAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2006
Entry Details Article
PubMed