BDBM5263 (3R,4R,5S)-5-amino-4-acetamido-3-[(2R)-2-(hydroxymethyl)azepan-1-yl]cyclohex-1-ene-1-carboxylic acid::C3-Cyclic Amine Carbocyclic Analogue 4n

SMILES: CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCC[C@@H]1CO)C(O)=O

InChI Key: InChIKey=IIIHFJUFPWPHFQ-LXTVHRRPSA-N

Data: 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 2 hits for monomerid = 5263   

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 B (Influenza B virus (B/Lee/40))	BDBM5263 ((3R,4R,5S)-5-amino-4-acetamido-3-[(2R)-2-(hydroxym...) Show SMILES CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCC[C@@H]1CO)C(O)=O |r,c:8| Show InChI InChI=1S/C16H27N3O4/c1-10(21)18-15-13(17)7-11(16(22)23)8-14(15)19-6-4-2-3-5-12(19)9-20/h8,12-15,20H,2-7,9,17H2,1H3,(H,18,21)(H,22,23)/t12-,13+,14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 10: 1257-60 (2000) Article DOI: 10.1016/s0960-894x(00)00214-6 BindingDB Entry DOI: 10.7270/Q22R3PWW
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5263 ((3R,4R,5S)-5-amino-4-acetamido-3-[(2R)-2-(hydroxym...) Show SMILES CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCC[C@@H]1CO)C(O)=O |r,c:8| Show InChI InChI=1S/C16H27N3O4/c1-10(21)18-15-13(17)7-11(16(22)23)8-14(15)19-6-4-2-3-5-12(19)9-20/h8,12-15,20H,2-7,9,17H2,1H3,(H,18,21)(H,22,23)/t12-,13+,14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 10: 1257-60 (2000) Article DOI: 10.1016/s0960-894x(00)00214-6 BindingDB Entry DOI: 10.7270/Q22R3PWW
					More data for this Ligand-Target Pair