BDBM11391 2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-thieno-[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide::2-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxo-2H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide::AL-6629::Compound 17k1

SMILES COc1cccc(c1)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O

InChI Key InChIKey=XSUAVPPTKHUTDX-UHFFFAOYSA-N

Data  1 KI  4 IC50

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 5 hits for monomerid = 11391   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Alcon Research

LigandPNGBDBM11391(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
Affinity DataKi:  0.150nM ΔG°:  -13.9kcal/molepH: 7.4 T: 2°CAssay Description:Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Alcon Research

LigandPNGBDBM11391(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
Affinity DataIC50:  1.30nMAssay Description:Concentration which produces 50% inhibition of human Carbonic anhydrase IIMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM11391(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
Affinity DataIC50:  7.40nMAssay Description:Concentration which produces 50% Inhibition of human Carbonic anhydrase IVMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Alcon Research

LigandPNGBDBM11391(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
Affinity DataIC50:  1.27nMpH: 7.2 T: 2°CAssay Description:The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM11391(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
Affinity DataIC50:  7.41nMAssay Description:The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed