BDBM50292379 3-O-beta-D-glucuronopyranosyl-2beta,16alpha-dihydroxyolean-12-ene-23,28-dioc acid 28-O-beta-D-xylopyranosyl(1->2)-alpha-L-rhamnopyranosyl(1->2)-alpha-L-rhamnopyranoside::CHEMBL443894::zanhasaponin B
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)([C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)C(O)=O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChI Key: InChIKey=AOIMXJGQCIOVFI-LIPHUQLUSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Phospholipase A2, acidic (Naja naja) | BDBM50292379 (3-O-beta-D-glucuronopyranosyl-2beta,16alpha-dihydr...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Val£ncia Curated by ChEMBL | Assay Description Inhibition of Naja Naja PLA2 | J Nat Prod 60: 1158-60 (1998) Article DOI: 10.1021/np970221r BindingDB Entry DOI: 10.7270/Q2QV3ND4 | |||||||||||
More data for this Ligand-Target Pair |