BDBM223457 US9320722, CD4

SMILES CCCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1

InChI Key InChIKey=DHNRRYABRJSZFA-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 = 223457   

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

US Patent
LigandPNGBDBM223457(US9320722, CD4)
Affinity DataIC50:  2.12E+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
LigandPNGBDBM223457(US9320722, CD4)
Affinity DataIC50:  2.50E+3nMpH: 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
LigandPNGBDBM223457(US9320722, CD4)
Affinity DataIC50:  1.40E+3nMpH: 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