BDBM50043906 CHEMBL269001::Dorzolamide::MK-507::US10172837, Dorzolamide

SMILES CCNC1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O

InChI Key InChIKey=IAVUPMFITXYVAF-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50043906   

Target6-phosphogluconate dehydrogenase, decarboxylating(Homo sapiens (Human))
Dumlupinar University

LigandPNGBDBM50043906(CHEMBL269001 | Dorzolamide | MK-507 | US10172837, ...)
Affinity DataKi:  3.14E+6nM IC50:  1.41E+6nMAssay Description:The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Naia Metabolic

US Patent
LigandPNGBDBM50043906(CHEMBL269001 | Dorzolamide | MK-507 | US10172837, ...)
Affinity DataIC50:  9nMAssay Description:Compounds which are CAIs are well known in the art, see for example, Pastorekova et al, Journal of Enzyme Inhibition and Medicinal Chemistry, 19(3), ...More data for this Ligand-Target Pair
In DepthDetails US Patent