BDBM50451273 CHEMBL4212028

SMILES: [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O

InChI Key: InChIKey=KZKFGFQIIKIMEG-UHFFFAOYSA-O

Data: 1 KI

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 1 hit for monomerid = 50451273   

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 (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451273 (CHEMBL4212028) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C31H31N3O4/c1-20-3-5-23(6-4-20)33-11-9-32(10-12-33)17-22-14-30(36-2)31(35)26-18-34-8-7-21-13-28-29(38-19-37-28)16-25(21)27(34)15-24(22)26/h3-6,13-16,18H,7-12,17,19H2,1-2H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
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