BDBM50372895 CHEMBL408967

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

InChI Key InChIKey=NTSPHKOMJMBWOU-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 50372895   

TargetCarbonic anhydrase 2(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50372895(CHEMBL408967)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetSteryl-sulfatase(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50372895(CHEMBL408967)
Affinity DataIC50: 130nMAssay Description:Inhibition of steroid sulfatase-mediated conversion of [3H]E1S to E1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50372895(CHEMBL408967)
Affinity DataKi:  750nMAssay 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 Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50372895(CHEMBL408967)
Affinity DataKi:  1.47E+3nMAssay Description:Inhibition of carbonic anhydrase 2 (unknown origin) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed