BDBM50216277 4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-diyl)bis(2-methoxyphenol)::8-beta,8'-alpha-dimethyl-7-alpha,7'-beta-bis(3-methoxy-4-hydroxy-phenyl)cyclobutane::CHEMBL228274::endiandrin A

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

InChI Key InChIKey=QDBUCXMBHJMGCN-HIGYNYDNSA-N

Data  6 KI  1 IC50

  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 7 hits for monomerid = 50216277   

TargetCarbonic anhydrase(Candida albicans (Yeast))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50216277(4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  730nMAssay 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
LigandPNGBDBM50216277(4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  770nMAssay 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
TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50216277(4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  820nMAssay 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(Mycobacterium tuberculosis)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50216277(4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  8.92E+3nMAssay 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 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50216277(4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  1.17E+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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50216277(4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataKi:  3.68E+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
TargetGlucocorticoid receptor(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50216277(4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-di...)
Affinity DataIC50:  900nMAssay Description:Binding affinity to glucocorticoid receptor by GR binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed