BDBM50370984 Abyssinone Vi::CHEMBL508727

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]

InChI Key: InChIKey=PEKZTKWPHQWTIM-KPKJPENVSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50370984   

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
Neuraminidase (Influenza A virus)	BDBM50370984 (Abyssinone Vi | CHEMBL508727) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] Show InChI InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Non-competitive inhibition of influenza A virus H1N1 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate sub...				Bioorg Med Chem Lett 20: 6430-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.077 BindingDB Entry DOI: 10.7270/Q2HQ42Q8
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50370984 (Abyssinone Vi | CHEMBL508727) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] Show InChI InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of influenza A virus H1N1 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate substrate				Bioorg Med Chem Lett 20: 6430-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.077 BindingDB Entry DOI: 10.7270/Q2HQ42Q8
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50370984 (Abyssinone Vi | CHEMBL508727) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] Show InChI InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of influenza A virus H9N2 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate substrate				Bioorg Med Chem Lett 20: 6430-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.077 BindingDB Entry DOI: 10.7270/Q2HQ42Q8
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50370984 (Abyssinone Vi | CHEMBL508727) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] Show InChI InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+4	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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair