BDBM5249 (3R,4R,5S)-5-amino-4-acetamido-3-{[(3S)-1-hydroxypentan-3-yl]oxy}cyclohex-1-ene-1-carboxylic acid::carbocyclic analog 20

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

InChI Key: InChIKey=UOGXNGRTMXTGCK-WUHRBBMRSA-N

Data: 2 IC50

PDB links: 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 5249   

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(...)	BDBM5249 ((3R,4R,5S)-5-amino-4-acetamido-3-{[(3S)-1-hydroxyp...) Show SMILES [H][C@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9| Show InChI InChI=1S/C14H24N2O5/c1-3-10(4-5-17)21-12-7-9(14(19)20)6-11(15)13(12)16-8(2)18/h7,10-13,17H,3-6,15H2,1-2H3,(H,16,18)(H,19,20)/t10-,11-,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	40	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 9: 2811-4 (1999) Article DOI: 10.1016/s0960-894x(99)00479-5 BindingDB Entry DOI: 10.7270/Q26H4FMM
					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM5249 ((3R,4R,5S)-5-amino-4-acetamido-3-{[(3S)-1-hydroxyp...) Show SMILES [H][C@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9| Show InChI InChI=1S/C14H24N2O5/c1-3-10(4-5-17)21-12-7-9(14(19)20)6-11(15)13(12)16-8(2)18/h7,10-13,17H,3-6,15H2,1-2H3,(H,16,18)(H,19,20)/t10-,11-,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	400	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 9: 2811-4 (1999) Article DOI: 10.1016/s0960-894x(99)00479-5 BindingDB Entry DOI: 10.7270/Q26H4FMM
					More data for this Ligand-Target Pair