BDBM179912 US9133131, 3

SMILES: NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(cc2)[N+]#[C-])cc1)[C@H](O)CO

InChI Key: InChIKey=NRTWRTFPDOWKKG-GOSISDBHSA-N

Data: 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 1 hit for monomerid = 179912   

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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM179912 (US9133131, 3) Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(cc2)[N+]#[C-])cc1)[C@H](O)CO |r| Show InChI InChI=1S/C20H16N4O4/c1-22-13-4-8-15(9-5-13)28-14-6-2-12(3-7-14)20-23-16(18(26)11-25)10-17(24-20)19(21)27/h2-10,18,25-26H,11H2,(H2,21,27)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	958	n/a	n/a	n/a	n/a	7.3	n/a
Purdue Pharma L.P. US Patent					Assay Description Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...				US Patent US9133131 (2015) BindingDB Entry DOI: 10.7270/Q23B5XX5
					More data for this Ligand-Target Pair