BDBM50447056 CHEMBL1378094::US9320722, CB7::US9328112, CB7

SMILES Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1

InChI Key InChIKey=SMGZHCSEIBBFEJ-UHFFFAOYSA-N

Data  5 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50447056   

TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50447056(CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)
Affinity DataKi:  82nMAssay Description:Competitive inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis in presence of 1.5 mM NADP+More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50447056(CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)
Affinity DataKi:  110nMAssay Description:Non-competitive inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis in presence of 100 to 500 uM NADP+More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50447056(CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)
Affinity DataKi:  200nMpH: 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
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50447056(CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)
Affinity DataKi:  200nMpH: 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
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50447056(CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)
Affinity DataKi:  200nMAssay Description:Inhibition of human wild-type ALDH3A1-mediated benzaldehyde oxidationMore data for this Ligand-Target Pair
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50447056(CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)
Affinity DataIC50:  200nMpH: 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
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50447056(CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)
Affinity DataIC50:  200nMAssay Description:Inhibition of human ALDH3A1-mediated benzaldehyde oxidation preincubated for 1 min followed by substrate addition by spectrophotometric analysisMore data for this Ligand-Target Pair