BDBM50339596 4,4'-((1R,2S,3R,4S)-3,4-dimethylcyclobutane-1,2-diyl)bis(2-methoxyphenol)::8beta,8'beta-dimethyl-7alpha,7'alpha-bis(3-methoxy-4-hydroxyphenyl)cyclobutane::CHEMBL517222::endiandrin B

SMILES COc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1

InChI Key InChIKey=QDBUCXMBHJMGCN-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 = 50339596   

TargetCarbonic anhydrase(Yeast)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339596(4,4'-((1R,2S,3R,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  700nMAssay 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
TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339596(4,4'-((1R,2S,3R,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  800nMAssay 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(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339596(4,4'-((1R,2S,3R,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  890nMAssay 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(Cryptococcus neoformans var. grubii (Filobasidiell...)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339596(4,4'-((1R,2S,3R,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  950nMAssay 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
LigandPNGBDBM50339596(4,4'-((1R,2S,3R,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  1.21E+4nMAssay 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 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50339596(4,4'-((1R,2S,3R,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  3.54E+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