BDBM65735 7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione::7-butyl-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione::7-butyl-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione::7-butyl-8-[[4-(3-chlorophenyl)piperazino]methyl]-1,3-dimethyl-xanthine::MLS-0004183.0001::cid_666267

SMILES CCCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key InChIKey=CYKISVYTUCOJRU-UHFFFAOYSA-N

Data  14 IC50

  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 5 hits for monomerid = 65735   

TargetAldehyde dehydrogenase X, mitochondrial(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM65735(7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant human ALDH1B1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM65735(7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinal dehydrogenase 2(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM65735(7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant human ALDH1A2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase family 1 member A3(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM65735(7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human ALDH1A3 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM65735(7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant human ALDH2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed