BDBM5014 (3R,4R,5S)-5-amino-4-acetamido-2-methyl-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid::C2-Substituted Carbocyclic Analogue 4::Carbocyclic Analogue 64

SMILES: CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1C

InChI Key: InChIKey=FYSOMEMGLOCHIM-BFHYXJOUSA-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 = 5014   

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(...)	BDBM5014 ((3R,4R,5S)-5-amino-4-acetamido-2-methyl-3-(pentan-...) Show SMILES CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1C |r,c:18| Show InChI InChI=1S/C15H26N2O4/c1-5-10(6-2)21-14-8(3)11(15(19)20)7-12(16)13(14)17-9(4)18/h10,12-14H,5-7,16H2,1-4H3,(H,17,18)(H,19,20)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+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...				Bioorg Med Chem Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5014 ((3R,4R,5S)-5-amino-4-acetamido-2-methyl-3-(pentan-...) Show SMILES CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1C |r,c:18| Show InChI InChI=1S/C15H26N2O4/c1-5-10(6-2)21-14-8(3)11(15(19)20)7-12(16)13(14)17-9(4)18/h10,12-14H,5-7,16H2,1-4H3,(H,17,18)(H,19,20)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+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