BDBM50409313 ONONIN
SMILES: COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O
InChI Key: InChIKey=MGJLSBDCWOSMHL-MIUGBVLSSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50409313 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, mitochondrial
(Homo sapiens (Human)) | BDBM50409313
(ONONIN)Show SMILES COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O |r| Show InChI InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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KEGG PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of hamster liver aldehyde dehydrogenase ALDH-2 |
J Med Chem 44: 3320-8 (2001)
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ |
More data for this Ligand-Target Pair | |
Interleukin-2 (IL-2)
(Homo sapiens (Human)) | BDBM50409313
(ONONIN)Show SMILES COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O |r| Show InChI InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to IL-2 (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |