BDBM50170762 5-[3-(2-Bromo-4-sulfamoyl-phenyl)-thioureido]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid::CHEMBL187919

SMILES [#7]S(=O)(=O)c1ccc(-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)c(Br)c1

InChI Key InChIKey=VAAVHAQQRRGUGJ-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50170762   

TargetCarbonic anhydrase 9(Human)
Università

Curated by ChEMBL
LigandPNGBDBM50170762(5-[3-(2-Bromo-4-sulfamoyl-phenyl)-thioureido]-2-(6...)
Affinity DataKi:  35nMAssay Description:Inhibition constant against human cloned isozyme (hCA IX) by CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Università

Curated by ChEMBL
LigandPNGBDBM50170762(5-[3-(2-Bromo-4-sulfamoyl-phenyl)-thioureido]-2-(6...)
Affinity DataKi:  43nMAssay Description:Inhibition constant against human (cloned) isozyme (hCA II) by CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Università

Curated by ChEMBL
LigandPNGBDBM50170762(5-[3-(2-Bromo-4-sulfamoyl-phenyl)-thioureido]-2-(6...)
Affinity DataKi:  1.10E+3nMAssay Description:Inhibition constant against human (cloned) isozyme (hCA I) by the CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed