Compile Data Set for Download or QSAR
Found 27 Enz. Inhib. hit(s) with all data for entry = 50043840
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447056(CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)copy SMILEScopy InChI
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)copy SMILEScopy InChI
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)copy SMILEScopy InChI
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)copy SMILEScopy InChI
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
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447071(CHEMBL3112681 | US9328112, A20)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM62312(2-methyl-1-(4-methylphenyl)sulfonyl-benzimidazole ...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447061(CHEMBL3112688 | US9328112, A53)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447058(CHEMBL1308268 | US9328112, A70)copy SMILEScopy InChI
Affinity DataIC50: 900nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447059(CHEMBL3112689 | US9328112, A64)copy SMILEScopy InChI
Affinity DataIC50: 900nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447069(CHEMBL1492620 | US9328112, B37)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM62170(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447073(CHEMBL1493289 | US9328112, A21)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+3nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447060(CHEMBL1607749 | US9328112, A62)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447072(CHEMBL1890994 | US9328112, A24)copy SMILEScopy InChI
Affinity DataIC50: 2.10E+3nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447062(CHEMBL3112687 | US9328112, B27)copy SMILEScopy InChI
Affinity DataIC50: 4.20E+3nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM62169(1-(4-methylphenyl)sulfonylbenzimidazole | 1-tosylb...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447076(CHEMBL3112679 | US9328112, A5)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447067(CHEMBL1372362 | US9328112, A13)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447075(CHEMBL1729716 | US9328112, A16)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447074(CHEMBL3112680 | US9328112, A67)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447070(CHEMBL3112682 | US9328112, A22)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447068(CHEMBL3112683)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447065(CHEMBL1561479 | US9328112, A47)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447064(CHEMBL3112685 | US9328112, A39)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447063(CHEMBL3112686 | US9328112, A30)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447057(CHEMBL1413180 | US9328112, A40)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50447066(CHEMBL3112684 | US9328112, A38)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TKKPubMed