BDBM223466 US9320722, CD14

SMILES CCCC1C(C#N)=C(NC(C)=C1C(C)=O)SCC(=O)c1ccc(Br)cc1

InChI Key InChIKey=VSSZUBYDXODZSN-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 223466   

TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University Research And Technology

US Patent
LigandPNGBDBM223466(US9320722, CD14)
Affinity DataIC50:  1.04E+4nMpH: 7.5Assay Description:IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University Research And Technology

US Patent
LigandPNGBDBM223466(US9320722, CD14)
Affinity DataIC50:  7.15E+4nMpH: 7.5Assay Description:IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Indiana University Research And Technology

US Patent
LigandPNGBDBM223466(US9320722, CD14)
Affinity DataIC50:  1.37E+4nMpH: 7.5Assay Description:IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo...More data for this Ligand-Target Pair
In DepthDetails US Patent