BDBM50451256 CHEMBL4212214

SMILES: [Cl-].COc1cc(CN2CCN(CC2)c2cccc(Cl)c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O

InChI Key: InChIKey=DJRNAAYYWYAWKK-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 = 50451256   

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(...)	BDBM50451256 (CHEMBL4212214) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2cccc(Cl)c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28ClN3O4/c1-36-29-12-20(16-32-7-9-33(10-8-32)22-4-2-3-21(31)13-22)23-14-26-24-15-28-27(37-18-38-28)11-19(24)5-6-34(26)17-25(23)30(29)35/h2-4,11-15,17H,5-10,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	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
					More data for this Ligand-Target Pair