BDBM239173 Thiazolidin-based CA inhibitor, 3

SMILES Cc1ccc(s1)C1SCC(=O)N1c1cccc(C)n1

InChI Key InChIKey=PQDWXFYWAWFJEO-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 239173   

TargetCarbonic anhydrase 2(Human)
Ondokuz Mayis University

LigandPNGBDBM239173(Thiazolidin-based CA inhibitor, 3)
Affinity DataKi:  1.36E+3nM ΔG°:  -8.00kcal/molepH: 7.4 T: 2°CAssay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Ondokuz Mayis University

LigandPNGBDBM239173(Thiazolidin-based CA inhibitor, 3)
Affinity DataKi:  5.38E+3nM ΔG°:  -7.18kcal/molepH: 7.4 T: 2°CAssay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2017
Entry Details Article
PubMed