BDBM50200940 (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE::2-methoxyestradiol 17-O-sulfamate::2-methoxyestradiol-17-O-sulfamate::CHEMBL374721

SMILES C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)O)OC

InChI Key InChIKey=AOEHUXLJSHGXHN-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 50200940   

TargetCarbonic anhydrase 2(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50200940(2-methoxyestradiol 17-O-sulfamate | (13ALPHA,14BET...)
Affinity DataIC50: 526nMAssay Description:Inhibition of human carbonic anhydrase 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50200940(2-methoxyestradiol 17-O-sulfamate | (13ALPHA,14BET...)
Affinity DataIC50: 526nMAssay Description:Inhibition of human CA2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50200940(2-methoxyestradiol 17-O-sulfamate | (13ALPHA,14BET...)
Affinity DataKi:  1.18E+3nMAssay Description:Inhibition of carbonic anhydrase 9 (unknown origin) expressed in Escherichia coli BL21 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50200940(2-methoxyestradiol 17-O-sulfamate | (13ALPHA,14BET...)
Affinity DataKi:  1.03E+4nMAssay Description:Inhibition of carbonic anhydrase 2 (unknown origin) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed