BDBM50325676 CHEMBL1224250::mangostanol

SMILES: [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

InChI Key: InChIKey=KCMPFWGUVNEDHW-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50325676   

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)	BDBM50325676 (CHEMBL1224250 | mangostanol) Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,18,25-27H,7-8H2,1-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry				Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50325676 (CHEMBL1224250 | mangostanol) Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,18,25-27H,7-8H2,1-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of Clostridium perfringens neuraminidase by fluorometry				Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4
					More data for this Ligand-Target Pair