BDBM50017725 (S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide::4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide::4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide; hydrochloride::CHEMBL545013::MK-417::MK-927

SMILES CC(C)CNC1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O

InChI Key InChIKey=JFLUCCKXAYBETQ-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017725   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50017725((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Affinity DataKi:  0.600nMAssay Description:Tested for ability to compete with dansylamide for binding to human erythrocyte carbonic-anhydrase-II (HCA-II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed