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 1A1 (Homo sapiens (Human)) | BDBM30972 (8-[[4-(2-furoyl)piperazino]methyl]-7-isoamyl-1,3-d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Uncompetitive partial inhibition of recombinant human ALDH1A1 using 200 uM propionaldehyde as substrate by Lineweaver-Burk plot analysis in presence ... | J Med Chem 58: 1964-75 (2015) Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human)) | BDBM30972 (8-[[4-(2-furoyl)piperazino]methyl]-7-isoamyl-1,3-d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Non-competitive partial inhibition of recombinant human ALDH1A1 using 800 uM NAD+ as cofactor by Lineweaver-Burk plot analysis in presence of 100 to ... | J Med Chem 58: 1964-75 (2015) Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human)) | BDBM30972 (8-[[4-(2-furoyl)piperazino]methyl]-7-isoamyl-1,3-d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112940 BindingDB Entry DOI: 10.7270/Q26Q229B | ||||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human)) | BDBM30972 (8-[[4-(2-furoyl)piperazino]methyl]-7-isoamyl-1,3-d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of ALDH1A1 (unknown origin) assessed as inhibition of propionaldehyde oxidation | Citation and Details Article DOI: 10.1016/j.bmc.2021.116352 BindingDB Entry DOI: 10.7270/Q2F47SX9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human)) | BDBM30972 (8-[[4-(2-furoyl)piperazino]methyl]-7-isoamyl-1,3-d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of recombinant human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis... | J Med Chem 58: 1964-75 (2015) Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human)) | BDBM30972 (8-[[4-(2-furoyl)piperazino]methyl]-7-isoamyl-1,3-d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of N-terminal Met/His6-tagged recombinant human ALDH1A1 (Ser2-Ser501 residues) expressed in Escherichia coli cells using propionaldehyde a... | Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111923 BindingDB Entry DOI: 10.7270/Q22F7RZ1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |