Wt: 246.2 BDBM22841 ![]() | Wt: 237.2 BDBM22794 ![]() | Wt: 263.2 BDBM47902 ![]() | Wt: 265.3 BDBM47880 ![]() | Wt: 272.3 BDBM62169 ![]() |
Wt: 286.3 BDBM62312 ![]() | Wt: 332.3 BDBM109227 ![]() | Wt: 375.4 BDBM109228 ![]() | Wt: 475.5 BDBM109229 ![]() | Wt: 404.3 BDBM109230 ![]() |
Wt: 349.3 BDBM109210 ![]() | Wt: 325.3 BDBM109211 ![]() | Wt: 389.3 BDBM109215 ![]() | Wt: 422.5 BDBM109216 ![]() | Wt: 324.3 BDBM109218 ![]() |
Displayed 1 to 15 (of 58 total ) | Next | Last >> |
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM22794![]() (1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis | J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM22794![]() (1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human ALDH3A1 by Lineweaver-Burk plot analysis in presence of NADP+ | J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM109210![]() (CB29) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 4.70E+3 | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA) | Assay Description To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as... | Chembiochem 15: 701-712 (2014) Article DOI: 10.1002/cbic.201300625 BindingDB Entry DOI: 10.7270/Q2V986PZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM109218![]() (CB29 (derivative 8)) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA) | Assay Description To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as... | Chembiochem 15: 701-712 (2014) Article DOI: 10.1002/cbic.201300625 BindingDB Entry DOI: 10.7270/Q2V986PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM109227![]() (CB29 (derivative 17)) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA) | Assay Description To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as... | Chembiochem 15: 701-712 (2014) Article DOI: 10.1002/cbic.201300625 BindingDB Entry DOI: 10.7270/Q2V986PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM109228![]() (CB29 (derivative 18)) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA) | Assay Description To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as... | Chembiochem 15: 701-712 (2014) Article DOI: 10.1002/cbic.201300625 BindingDB Entry DOI: 10.7270/Q2V986PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM109229![]() (CB29 (derivative 19)) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA) | Assay Description To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as... | Chembiochem 15: 701-712 (2014) Article DOI: 10.1002/cbic.201300625 BindingDB Entry DOI: 10.7270/Q2V986PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM109230![]() (CB29 (derivative 20)) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA) | Assay Description To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as... | Chembiochem 15: 701-712 (2014) Article DOI: 10.1002/cbic.201300625 BindingDB Entry DOI: 10.7270/Q2V986PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM62169![]() (1-(4-methylphenyl)sulfonylbenzimidazole | 1-tosylb...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
Indiana University Research and Technology Corporation US Patent | Assay 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... | US Patent US9320722 (2016) BindingDB Entry DOI: 10.7270/Q2V69HGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM62312![]() (2-methyl-1-(4-methylphenyl)sulfonyl-benzimidazole ...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a | |
Indiana University Research and Technology Corporation US Patent | Assay 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... | US Patent US9320722 (2016) BindingDB Entry DOI: 10.7270/Q2V69HGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM109216![]() (CB29 (derivative 6) | US9320722, 6) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
Indiana University Research and Technology Corporation US Patent | Assay 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... | US Patent US9320722 (2016) BindingDB Entry DOI: 10.7270/Q2V69HGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM22841![]() (1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ... | J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM47902![]() (1-[(2E)-3-phenylprop-2-enyl]-1H-indole-2,3-dione |...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ... | J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM47880![]() (1-(3-phenylpropyl)indole-2,3-dione | 1-(3-phenylpr...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ... | J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM22794![]() (1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ... | J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM62312![]() (2-methyl-1-(4-methylphenyl)sulfonyl-benzimidazole ...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human ALDH3A1-mediated benzaldehyde oxidation preincubated for 1 min followed by substrate addition by spectrophotometric analysis | J Med Chem 57: 449-61 (2014) Article DOI: 10.1021/jm401508p BindingDB Entry DOI: 10.7270/Q2VT1TKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM109216![]() (CB29 (derivative 6) | US9320722, 6) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA) | Assay Description To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as... | Chembiochem 15: 701-712 (2014) Article DOI: 10.1002/cbic.201300625 BindingDB Entry DOI: 10.7270/Q2V986PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM109215![]() (CB29 (derivative 5)) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA) | Assay Description To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as... | Chembiochem 15: 701-712 (2014) Article DOI: 10.1002/cbic.201300625 BindingDB Entry DOI: 10.7270/Q2V986PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM62169![]() (1-(4-methylphenyl)sulfonylbenzimidazole | 1-tosylb...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human ALDH3A1-mediated benzaldehyde oxidation preincubated for 1 min followed by substrate addition by spectrophotometric analysis | J Med Chem 57: 449-61 (2014) Article DOI: 10.1021/jm401508p BindingDB Entry DOI: 10.7270/Q2VT1TKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM109211![]() (CB29 (derivative 2)) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA) | Assay Description To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as... | Chembiochem 15: 701-712 (2014) Article DOI: 10.1002/cbic.201300625 BindingDB Entry DOI: 10.7270/Q2V986PZ | |||||||||||
More data for this Ligand-Target Pair |