BDBM4995 (3R,4R,5S)-4-Acetamido-5-amino-3-[[(1S)-1-ethylbut-3-enyl]oxy]-1-cyclohexene-1-carboxylic Acid::(3R,4R,5S)-5-amino-4-acetamido-3-[(3S)-hex-5-en-3-yloxy]cyclohex-1-ene-1-carboxylic acid::Carbocyclic Analogue 45

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

InChI Key: InChIKey=HQIVDWCSVLHHIC-IGQOVBAYSA-N

Data: 3 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 3 hits for monomerid = 4995   

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(...)	BDBM4995 ((3R,4R,5S)-4-Acetamido-5-amino-3-[[(1S)-1-ethylbut...) Show SMILES CC[C@@H](CC=C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C15H24N2O4/c1-4-6-11(5-2)21-13-8-10(15(19)20)7-12(16)14(13)17-9(3)18/h4,8,11-14H,1,5-7,16H2,2-3H3,(H,17,18)(H,19,20)/t11-,12-,13+,14+/m0/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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)	BDBM4995 ((3R,4R,5S)-4-Acetamido-5-amino-3-[[(1S)-1-ethylbut...) Show SMILES CC[C@@H](CC=C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C15H24N2O4/c1-4-6-11(5-2)21-13-8-10(15(19)20)7-12(16)14(13)17-9(3)18/h4,8,11-14H,1,5-7,16H2,2-3H3,(H,17,18)(H,19,20)/t11-,12-,13+,14+/m0/s1	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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))	BDBM4995 ((3R,4R,5S)-4-Acetamido-5-amino-3-[[(1S)-1-ethylbut...) Show SMILES CC[C@@H](CC=C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C15H24N2O4/c1-4-6-11(5-2)21-13-8-10(15(19)20)7-12(16)14(13)17-9(3)18/h4,8,11-14H,1,5-7,16H2,2-3H3,(H,17,18)(H,19,20)/t11-,12-,13+,14+/m0/s1	PDB MMDB KEGG B.MOAD DrugBank 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