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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldo-keto reductase family 1 member A1 (Homo sapiens (Human)) | BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rational Drug Design Laboratories Curated by ChEMBL | Assay Description Tested for in vitro inhibition activity against human aldehyde reductase (AHR) | J Med Chem 43: 2479-83 (2000) BindingDB Entry DOI: 10.7270/Q2HH6JBT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member A1 (Homo sapiens (Human)) | BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Inhibitory concentration against human ALR1 Aldehyde reductase using DL-glyceraldehyde | J Med Chem 48: 5536-42 (2005) Article DOI: 10.1021/jm050412o BindingDB Entry DOI: 10.7270/Q2K35T6F | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member A1 (Sus scrofa) | BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glyceraldehyde | J Med Chem 48: 5536-42 (2005) Article DOI: 10.1021/jm050412o BindingDB Entry DOI: 10.7270/Q2K35T6F | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |