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 COc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O)OS(N)(=O)=O

InChI Key InChIKey=AQSNIXKAKUZPSI-SSTWWWIQSA-N

Data  2 KI  4 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50200936   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50200936((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...)
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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50200936((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...)
Affinity DataKi:  270nMAssay Description:Inhibition of carbonic anhydrase 2 (unknown origin) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetSteryl-sulfatase(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50200936((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...)
Affinity DataIC50:  39nMAssay Description:Inhibition of steroid sulfatase-mediated coversion of [3H]E1S to E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50200936((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...)
Affinity DataKd:  3.75E+3nMAssay Description:Inhibition of carbonic anhydrase 2 (unknown origin) by isothermal calorimetry assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50200936((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...)
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 DepthDetails ArticlePubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50200936((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...)
Affinity DataIC50:  39nMAssay Description:Inhibition of STS in placental microsomes by radiometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50200936((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...)
Affinity DataIC50:  379nMAssay Description:Inhibition of human CA2More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50200936((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...)
Affinity DataIC50:  379nMAssay Description:Inhibition of human carbonic anhydrase 2More data for this Ligand-Target Pair