BDBM5015 (3S,4R,5S)-5-amino-4-acetamido-2-fluoro-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid::Carbocyclic Analogue 30

SMILES: CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1F

InChI Key: InChIKey=DTBDFNJXZHXCFW-CYZMBNFOSA-N

Data: 3 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 = 5015   

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 A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5015 ((3S,4R,5S)-5-amino-4-acetamido-2-fluoro-3-(pentan-...) Show SMILES CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1F |r,c:18| Show InChI InChI=1S/C14H23FN2O4/c1-4-8(5-2)21-13-11(15)9(14(19)20)6-10(16)12(13)17-7(3)18/h8,10,12-13H,4-6,16H2,1-3H3,(H,17,18)(H,19,20)/t10-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	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...				J Med Chem 41: 2451-60 (1998) Article DOI: 10.1021/jm980162u BindingDB Entry DOI: 10.7270/Q2MP51GP
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM5015 ((3S,4R,5S)-5-amino-4-acetamido-2-fluoro-3-(pentan-...) Show SMILES CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1F |r,c:18| Show InChI InChI=1S/C14H23FN2O4/c1-4-8(5-2)21-13-11(15)9(14(19)20)6-10(16)12(13)17-7(3)18/h8,10,12-13H,4-6,16H2,1-3H3,(H,17,18)(H,19,20)/t10-,12+,13+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Clostridium perfringenes neuraminidase activity using 4-methylumbelliferyl-1-alpha-D-N-acetylneuramic acid sodium salt hydrate as subst...				Bioorg Med Chem Lett 27: 5429-5435 (2017) Article DOI: 10.1016/j.bmcl.2017.11.003 BindingDB Entry DOI: 10.7270/Q2QZ2DJP
					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM5015 ((3S,4R,5S)-5-amino-4-acetamido-2-fluoro-3-(pentan-...) Show SMILES CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1F |r,c:18| Show InChI InChI=1S/C14H23FN2O4/c1-4-8(5-2)21-13-11(15)9(14(19)20)6-10(16)12(13)17-7(3)18/h8,10,12-13H,4-6,16H2,1-3H3,(H,17,18)(H,19,20)/t10-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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...				J Med Chem 41: 2451-60 (1998) Article DOI: 10.1021/jm980162u BindingDB Entry DOI: 10.7270/Q2MP51GP
					More data for this Ligand-Target Pair