BDBM11637 (15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl sulfamate::EMATE::estrone-3-O-sulfamate::sulfamate compound 4

SMILES C[C@]12CCC3C(CCc4cc(OS(N)(=O)=O)ccc34)C1CCC2=O

InChI Key InChIKey=RVKFQAJIXCZXQY-GUZDXLFXSA-N

Data  2 KI  3 IC50

  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 5 hits for monomerid = 11637   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto Di Biostrutture E Bioimmagini-Cnr

LigandPNGBDBM11637((15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{...)
Affinity DataKi:  10nM ΔG°:  -10.8kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Istituto Di Biostrutture E Bioimmagini-Cnr

LigandPNGBDBM11637((15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{...)
Affinity DataKi:  30nM ΔG°:  -10.2kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
St. Mary'S Hospital

LigandPNGBDBM11637((15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{...)
Affinity DataIC50:  20nMAssay Description:The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto Di Biostrutture E Bioimmagini-Cnr

LigandPNGBDBM11637((15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{...)
Affinity DataIC50:  42nMpH: 7.8 T: 2°CAssay Description:The in vitro inhibition of carbonic anhydrase was assessed by a colorimetric assay. Carbonic anhydrase-catalysed hydrolysis of p-nitrophenyl acetate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto Di Biostrutture E Bioimmagini-Cnr

LigandPNGBDBM11637((15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{...)
Affinity DataIC50:  23nMpH: 7.8 T: 2°CAssay Description:The in vitro inhibition of carbonic anhydrase was assessed by a colorimetric assay. Carbonic anhydrase-catalysed hydrolysis of p-nitrophenyl acetate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed