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 COc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1O)OS(N)(=O)=O

InChI Key InChIKey=AOEHUXLJSHGXHN-SSTWWWIQSA-N

Data  2 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50200940   

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

Curated by ChEMBL
LigandPNGBDBM50200940((13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-...)
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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50200940((13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-...)
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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50200940((13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-...)
Affinity DataIC50:  526nMAssay Description:Inhibition of human CA2More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50200940((13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-...)
Affinity DataIC50:  526nMAssay Description:Inhibition of human carbonic anhydrase 2More data for this Ligand-Target Pair