BDBM5005 (3R,4R,5S)-4-Acetamido-5-amino-3-(bis(phenylmethyl)methoxy)-1-cyclohexene-1-carboxylic Acid Hydrochloride::(3R,4R,5S)-5-amino-3-[(1,3-diphenylpropan-2-yl)oxy]-4-acetamidocyclohex-1-ene-1-carboxylic acid::Carbocyclic Analogue 55

SMILES: CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC(Cc1ccccc1)Cc1ccccc1)C(O)=O

InChI Key: InChIKey=QSJHZDKKICVMRR-YTFSRNRJSA-N

Data: 1 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 1 hit for monomerid = 5005   

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(...)	BDBM5005 ((3R,4R,5S)-4-Acetamido-5-amino-3-(bis(phenylmethyl...) Show SMILES CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC(Cc1ccccc1)Cc1ccccc1)C(O)=O |r,c:8| Show InChI InChI=1S/C24H28N2O4/c1-16(27)26-23-21(25)14-19(24(28)29)15-22(23)30-20(12-17-8-4-2-5-9-17)13-18-10-6-3-7-11-18/h2-11,15,20-23H,12-14,25H2,1H3,(H,26,27)(H,28,29)/t21-,22+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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
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