BDBM32391 iso-butyl-substituted sulfonamide, 9b

SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1

InChI Key InChIKey=BMXYVKCLBAGXOY-UHFFFAOYSA-N

Data  4 KI  2 IC50

PDB links: 2 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 6 hits for monomerid = 32391   

TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Philipps University Marburg

LigandPNGBDBM32391(iso-butyl-substituted sulfonamide, 9b)
Affinity DataKi:  900nM ΔG°:  -8.19kcal/molepH: 5.5 T: 2°CAssay Description:Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...More data for this Ligand-Target Pair
TargetPepsin A(Porcine)
Philipps University Marburg

LigandPNGBDBM32391(iso-butyl-substituted sulfonamide, 9b)
Affinity DataKi:  4.80E+3nM ΔG°:  -7.25kcal/moleT: 2°CAssay Description:Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Philipps University Marburg

LigandPNGBDBM32391(iso-butyl-substituted sulfonamide, 9b)
Affinity DataKi:  6.80E+3nM ΔG°:  -7.00kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin IV(Plasmodium falciparum)
Philipps University Marburg

LigandPNGBDBM32391(iso-butyl-substituted sulfonamide, 9b)
Affinity DataKi:  5.60E+4nM ΔG°:  -5.80kcal/moleT: 2°CAssay Description:Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1 [22-457](Homo sapiens (Human))
Philipps University Marburg

LigandPNGBDBM32391(iso-butyl-substituted sulfonamide, 9b)
Affinity DataIC50: >2.50E+5nMT: 2°CAssay Description:Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Philipps University Marburg

LigandPNGBDBM32391(iso-butyl-substituted sulfonamide, 9b)
Affinity DataIC50: >2.50E+5nMT: 2°CAssay Description:Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed