Found 2 hits in this display 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)) | BDBM109222
(CB29 (derivative 12))Show SMILES CC(C)C(=O)Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(C)(=O)=O)cc1 Show InChI InChI=1S/C17H19N3O5S/c1-11(2)17(21)19-13-6-4-12(5-7-13)18-15-9-8-14(26(3,24)25)10-16(15)20(22)23/h4-11,18H,1-3H3,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.68E+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, dimeric NADP-preferring
(Homo sapiens (Human)) | BDBM109222
(CB29 (derivative 12))Show SMILES CC(C)C(=O)Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(C)(=O)=O)cc1 Show InChI InChI=1S/C17H19N3O5S/c1-11(2)17(21)19-13-6-4-12(5-7-13)18-15-9-8-14(26(3,24)25)10-16(15)20(22)23/h4-11,18H,1-3H3,(H,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.96E+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 | |