BDBM50134329 CHEMBL122708::Sulfamic acid (11R,12S,15S,16S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl ester::Sulfamic acid (8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl ester::estra-1,3,5(10)-trien-17-one-3-sulphamate::estrone3-O-sulfamate

SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O

InChI Key InChIKey=RVKFQAJIXCZXQY-CBZIJGRNSA-N

Data  18 KI  51 IC50  2 EC50

PDB links: 2 PDB IDs match 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 1 hit for monomerid = 50134329   

TargetSteryl-sulfatase(Homo sapiens (Human))
Kingston University

Curated by ChEMBL
LigandPNGBDBM50134329(CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...)
Affinity DataIC50:  0.0650nMAssay Description:Tested for the inhibitory activity against Estrone SulfataseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed