BDBM50343682 ((1S,5R,6R)-6-acetamido-3-carboxy-5-(pentan-3-yloxy)cyclohex-2-enylamino)(amino)methaniminium 2,2,2-trifluoroacetate::(3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-guanidinocyclohex-1-ene-1-carboxylic Acid TrifluoroacetateSalt::CHEMBL1270126

SMILES: [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O

InChI Key: InChIKey=HGYRNBWLYZJBDT-YNEHKIRRSA-N

Data: 1 KI  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 3 hits for monomerid = 50343682   

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)	BDBM50343682 (((1S,5R,6R)-6-acetamido-3-carboxy-5-(pentan-3-ylox...) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6,10-13H,4-5,7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Sialidase 3 (Homo sapiens (Human))	BDBM50343682 (((1S,5R,6R)-6-acetamido-3-carboxy-5-(pentan-3-ylox...) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6,10-13H,4-5,7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human NEU3 using 4MU-NA as substrate after 1 hr by fluorescence assay				Bioorg Med Chem 19: 2817-22 (2011) Article DOI: 10.1016/j.bmc.2011.03.039 BindingDB Entry DOI: 10.7270/Q2Z31ZZV
					More data for this Ligand-Target Pair
Sialidase 4 (Homo sapiens (Human))	BDBM50343682 (((1S,5R,6R)-6-acetamido-3-carboxy-5-(pentan-3-ylox...) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6,10-13H,4-5,7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human NEU4 using 4MU-NA as substrate after 1 hr by fluorescence assay				Bioorg Med Chem 19: 2817-22 (2011) Article DOI: 10.1016/j.bmc.2011.03.039 BindingDB Entry DOI: 10.7270/Q2Z31ZZV
					More data for this Ligand-Target Pair