Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldehyde dehydrogenase, dimeric NADP-preferring (452/453 > 99%)† (Homo sapiens (Human)) | BDBM50447056 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 82 | 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 Competitive inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis in presence of 1.5 mM NADP+ | 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 | 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase, dimeric NADP-preferring (452/453 > 99%)† (Homo sapiens (Human)) | BDBM50447056 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 110 | 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 Non-competitive inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis in presence of 100 to 500 uM NADP+ | 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 | 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase, dimeric NADP-preferring (452/453 > 99%)† (Homo sapiens (Human)) | BDBM50447056 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | 200 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | 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 | 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase, dimeric NADP-preferring (452/453 > 99%)† (Homo sapiens (Human)) | BDBM50447056 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | 200 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | 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 | 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase, dimeric NADP-preferring (452/453 > 99%)† (Homo sapiens (Human)) | BDBM50447056 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 200 | 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 wild-type ALDH3A1-mediated benzaldehyde oxidation | 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 | 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase, dimeric NADP-preferring (452/453 > 99%)† (Homo sapiens (Human)) | BDBM50447056 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.5 | 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 | 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase, dimeric NADP-preferring (452/453 > 99%)† (Homo sapiens (Human)) | BDBM50447056 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 200 | 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 | 3D Structure (crystal) |