BDBM50339591 (+)-xylariamide A::(S)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-4-oxobut-2-enamido)propanoic acid::3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine::CHEMBL463134

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

InChI Key InChIKey=KCOKHEIACSQLBQ-YEZKRMTDSA-N

Data  6 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50339591   

TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339591((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  710nMAssay 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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase(Candida albicans (Yeast))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339591((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  1.06E+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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase(Cryptococcus neoformans var. grubii (Filobasidiell...)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339591((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  1.11E+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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339591((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  8.00E+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
TargetCarbonic anhydrase(Mycobacterium tuberculosis)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339591((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  1.09E+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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339591((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...)
Affinity DataKi:  2.31E+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 DepthDetails ArticlePubMed