BDBM50240622 3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydroxy-phenyl)-propionylamino]-propylamino}-butylamino)-propyl]-propionamide::CHEMBL79129::N1,N2-bis(dihydrocaffeoyl)spermine

SMILES Oc1ccc(CCC(=O)NCCCNCCCCNCCCNC(=O)CCc2ccc(O)c(O)c2)cc1O

InChI Key InChIKey=IOLDDENZPBFBHV-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50240622   

TargetTrypanothione reductase(Trypanosoma cruzi)
University Of Southamton

Curated by ChEMBL
LigandPNGBDBM50240622(3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydr...)
Affinity DataKi:  76nMAssay Description:The compound was evaluated for inhibition of trypanothione reductase enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrypanothione reductase(Crithidia fasciculata)
Pontificia Universidad Catolica Del Peru

Curated by ChEMBL
LigandPNGBDBM50240622(3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydr...)
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition of Crithidia fasciculata free trypanothione reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrypanothione reductase(Crithidia fasciculata)
Pontificia Universidad Catolica Del Peru

Curated by ChEMBL
LigandPNGBDBM50240622(3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydr...)
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition of Crithidia fasciculata TryR overexpressed in escherichia coli assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTrypanothione reductase(Crithidia fasciculata)
Pontificia Universidad Catolica Del Peru

Curated by ChEMBL
LigandPNGBDBM50240622(3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydr...)
Affinity DataKi:  1.30E+4nMAssay Description:Inhibition of Crithidia fasciculata trypanothione reductase-substrate complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed