BDBM50304348 CHEMBL594871::Rhodiolinin

SMILES: COc1cc(ccc1O)[C@H]1Oc2cc(O)c3c(oc(c(O)c3=O)-c3ccc(O)cc3)c2O[C@@H]1CO

InChI Key: InChIKey=POVCYOFRCMBMKD-XMSQKQJNSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50304348   

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
Sialidase (Clostridium perfringens)	BDBM50304348 (CHEMBL594871 | Rhodiolinin) Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(O)c3c(oc(c(O)c3=O)-c3ccc(O)cc3)c2O[C@@H]1CO |r| Show InChI InChI=1S/C25H20O10/c1-32-16-8-12(4-7-14(16)28)22-18(10-26)34-24-17(33-22)9-15(29)19-20(30)21(31)23(35-25(19)24)11-2-5-13(27)6-3-11/h2-9,18,22,26-29,31H,10H2,1H3/t18-,22-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 17: 6816-23 (2009) Article DOI: 10.1016/j.bmc.2009.08.036 BindingDB Entry DOI: 10.7270/Q25M66NN
					More data for this Ligand-Target Pair