BDBM50030258 CHEMBL3343658

SMILES: COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4c(C)c-23)cc1O

InChI Key: InChIKey=XWCVASCMRTXXRY-UHFFFAOYSA-O

Data: 2 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 = 50030258   

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 (strain A/USSR/90/1977 H1N1))	BDBM50030258 (CHEMBL3343658) Show SMILES COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4c(C)c-23)cc1O Show InChI InChI=1S/C21H21NO4/c1-12-14-5-6-18(24-2)21(26-4)16(14)11-22-8-7-13-9-17(23)19(25-3)10-15(13)20(12)22/h5-6,9-11H,7-8H2,1-4H3/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus H5N1 neuraminidase using 4-methylumbelliferyl-alpha-D-Nacetylneuraminic acid sodium salt hydrate as substrate by fluo...				Bioorg Med Chem 22: 6047-52 (2014) Article DOI: 10.1016/j.bmc.2014.09.004 BindingDB Entry DOI: 10.7270/Q269755J
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50030258 (CHEMBL3343658) Show SMILES COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4c(C)c-23)cc1O Show InChI InChI=1S/C21H21NO4/c1-12-14-5-6-18(24-2)21(26-4)16(14)11-22-8-7-13-9-17(23)19(25-3)10-15(13)20(12)22/h5-6,9-11H,7-8H2,1-4H3/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of recombinant Influenza A virus H1N1 neuraminidase using 4-methylumbelliferyl-alpha-D-Nacetylneuraminic acid sodium salt hydrate as subst...				Bioorg Med Chem 22: 6047-52 (2014) Article DOI: 10.1016/j.bmc.2014.09.004 BindingDB Entry DOI: 10.7270/Q269755J
					More data for this Ligand-Target Pair