BDBM436670 US10610125, Example Table 24a.5

SMILES [O-][N+](=O)c1ccc(COc2cccc(\C=C3\SC(=S)NC3=O)c2)cc1

InChI Key InChIKey=ZUWLHIQRPDLWRV-UHFFFAOYSA-N

Data  5 IC50

  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 = 436670   

TargetL-lactate dehydrogenase A chain(Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM436670(US10610125, Example Table 24a.5)
Affinity DataIC50: 1.28E+4nMAssay Description:All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2020
Entry Details
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM436670(US10610125, Example Table 24a.5)
Affinity DataIC50: 2.38E+4nMAssay Description:Assays were conducted in a volume of 76 ul assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in a sta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2020
Entry Details
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM436670(US10610125, Example Table 24a.5)
Affinity DataIC50: 3.32E+4nMAssay Description:Assays were conducted in a volume of 76 ul assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in a sta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2020
Entry Details
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM436670(US10610125, Example Table 24a.5)
Affinity DataIC50: 6.93E+4nMAssay Description:All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2020
Entry Details
US Patent

TargetL-lactate dehydrogenase B chain(Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM436670(US10610125, Example Table 24a.5)
Affinity DataIC50: 1.00E+5nMAssay Description:All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2020
Entry Details
US Patent