BDBM13058 6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate::667-COUMATE::667COUMATE::BN83495::CHEMBL286738::CMT::STX64::{9-oxo-8-oxatricyclo[8.5.0.0^{2,7}]pentadeca-1(10),2(7),3,5-tetraen-5-yl} sulfamate

SMILES c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3

InChI Key InChIKey=DSLPMJSGSBLWRE-UHFFFAOYSA-N

Data  12 KI  31 IC50  1 Kd

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 1 hit for monomerid = 13058   

TargetSteryl-sulfatase(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM13058(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)
Affinity DataIC50: 350nMAssay Description:Irreversible inhibition of steroid sulfatase in human intact MCF7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed