BDBM50020857 CHEMBL3286980

SMILES: Cl.CC12CC34CN(CC33CC1(C)C(C)(C3)C2(C)C4)C(N)=N

InChI Key: InChIKey=JQEINJUYBJMTDJ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020857   

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
Matrix protein 2 (Influenza A virus (A/Udorn/307/1972(H3N2)))	BDBM50020857 (CHEMBL3286980) Show SMILES Cl.CC12CC34CN(CC33CC1(C)C(C)(C3)C2(C)C4)C(N)=N |TLB:15:12:9:4.2.3,17:4:9:12.14,1:2:9:12.14,THB:13:12:9:4.2.3,5:4:9:12.14,15:2:9:12.14,(21.82,-53.44,;5.86,-53.14,;6.94,-54.22,;9,-55.42,;11.11,-54.2,;12.58,-53.76,;13.48,-55,;12.58,-56.23,;11.11,-55.74,;8.8,-56.44,;6.97,-55.72,;5.6,-56.5,;8.47,-55.72,;8.08,-57.25,;9.82,-56.49,;8.47,-54.22,;8.08,-52.74,;9.81,-53.45,;15.2,-55,;16.05,-56.48,;16.05,-53.51,)| Show InChI InChI=1S/C17H27N3.ClH/c1-12-5-16-6-13(12,2)15(4)8-17(16,7-14(12,15)3)10-20(9-16)11(18)19;/h5-10H2,1-4H3,(H3,18,19);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...				J Med Chem 57: 5738-47 (2014) Article DOI: 10.1021/jm5005804 BindingDB Entry DOI: 10.7270/Q23N24Z2
					More data for this Ligand-Target Pair