null
SMILES: CCCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1
InChI Key: InChIKey=DHNRRYABRJSZFA-UHFFFAOYSA-N
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 1A1 (Homo sapiens (Human)) | BDBM223457 (US9320722, CD4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | US Patent | n/a | n/a | 2.12E+4 | 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 | |||||||||||||
Aldehyde dehydrogenase, dimeric NADP-preferring (Homo sapiens (Human)) | BDBM223457 (US9320722, CD4) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | US Patent | n/a | n/a | 2.50E+3 | 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 | |||||||||||||
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human)) | BDBM223457 (US9320722, CD4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | US Patent | n/a | n/a | 1.40E+3 | 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 |