BDBM239178 (2S,5R)-5-methyl-3-(6-methylpyridin- 2-yl)-2-(5-methylthiophen-2-yl)thiazolidin-4-one::Thiazolidin-based CA inhibitor, 6b

SMILES C[C@H]1S[C@H](N(C1=O)c1cccc(C)n1)c1ccc(C)s1

InChI Key InChIKey=DFQRCFSFMYMYBF-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 = 239178   

TargetCarbonic anhydrase 2(Human)
Ondokuz Mayis University

LigandPNGBDBM239178(Thiazolidin-based CA inhibitor, 6b | (2S,5R)-5-met...)
Affinity DataKi:  810nM ΔG°:  -8.30kcal/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

LigandPNGBDBM239178(Thiazolidin-based CA inhibitor, 6b | (2S,5R)-5-met...)
Affinity DataKi:  4.43E+3nM ΔG°:  -7.30kcal/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