BDBM50200936 (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE::2-Methoxyestradiol-3,17-O,O-bis-sulfamate::2-methoxyestradiol 3,17-O,O-bis-sulfamate::CHEMBL218382

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

InChI Key InChIKey=AQSNIXKAKUZPSI-UHFFFAOYSA-N

Data  2 KI  4 IC50  2 Kd

  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 8 hits for monomerid = 50200936   

TargetCarbonic anhydrase 2(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50200936(2-Methoxyestradiol-3,17-O,O-bis-sulfamate | 2-meth...)
Affinity DataIC50: 379nMAssay Description:Inhibition of human CA2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSteryl-sulfatase(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50200936(2-Methoxyestradiol-3,17-O,O-bis-sulfamate | 2-meth...)
Affinity DataIC50: 39nMAssay Description:Inhibition of STS in placental microsomes by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSteryl-sulfatase(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50200936(2-Methoxyestradiol-3,17-O,O-bis-sulfamate | 2-meth...)
Affinity DataIC50: 39nMAssay Description:Inhibition of steroid sulfatase-mediated conversion of [3H]E1S to E1More 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
LigandPNGBDBM50200936(2-Methoxyestradiol-3,17-O,O-bis-sulfamate | 2-meth...)
Affinity DataIC50: 379nMAssay 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 9(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50200936(2-Methoxyestradiol-3,17-O,O-bis-sulfamate | 2-meth...)
Affinity DataKd:  605nMAssay Description:Inhibition of carbonic anhydrase 9 (unknown origin) expressed in Escherichia coli BL21 by isothermal calorimetry 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
LigandPNGBDBM50200936(2-Methoxyestradiol-3,17-O,O-bis-sulfamate | 2-meth...)
Affinity DataKd:  3.75E+3nMAssay Description:Inhibition of carbonic anhydrase 2 (unknown origin) by isothermal calorimetry assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50200936(2-Methoxyestradiol-3,17-O,O-bis-sulfamate | 2-meth...)
Affinity DataKi:  70nMAssay 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
LigandPNGBDBM50200936(2-Methoxyestradiol-3,17-O,O-bis-sulfamate | 2-meth...)
Affinity DataKi:  270nMAssay 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