BDBM50120856 CHEMBL3618495
SMILES: COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](C)O[C@H]3OC3=C(Cc4cc(O)cc(O)c4C3=O)c3cc(O)c(O[C@@H]4OC[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)c(O)c3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)ccc1O
InChI Key: InChIKey=IDIWMCDHBXDAEC-BPQKETPESA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pancreatic alpha-amylase (HPA) (Homo sapiens (Human)) | BDBM50120856 (CHEMBL3618495) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin Curated by ChEMBL | Assay Description Competitive inhibition of human pancreatic alpha-amylase by double reciprocal plot analysis | Bioorg Med Chem 23: 6725-32 (2015) BindingDB Entry DOI: 10.7270/Q21G0P2X | |||||||||||
More data for this Ligand-Target Pair |