BDBM50339590 (-)-xylariamide A::(R)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-4-oxobut-2-enamido)propanoic acid::CHEMBL463133

SMILES COC(=O)\C=C\C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(O)=O

InChI Key InChIKey=KCOKHEIACSQLBQ-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50339590   

TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339590((-)-xylariamide A | (R)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  840nMAssay Description:Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase(Yeast)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339590((-)-xylariamide A | (R)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  1.03E+3nMAssay Description:Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase(Cryptococcus neoformans var. grubii (Filobasidiell...)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339590((-)-xylariamide A | (R)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  1.15E+3nMAssay Description:Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339590((-)-xylariamide A | (R)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  8.30E+3nMAssay Description:Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339590((-)-xylariamide A | (R)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  1.13E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339590((-)-xylariamide A | (R)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  2.39E+5nMAssay Description:Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed