BDBM4765 (3S,4S)-3-[(1S)-2-(azetidin-1-yl)-1-acetamido-2-oxoethyl]-4-carbamimidamidocyclopentane-1-carboxylic acid::Cyclopentane Amide deriv. 16a

SMILES: [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-1

InChI Key: InChIKey=OZXOXSKHHIGIKG-SEQHWMEXSA-N

Data: 2 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 2 hits for monomerid = 4765   

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 B (Influenza B virus (B/Lee/40))	BDBM4765 ((3S,4S)-3-[(1S)-2-(azetidin-1-yl)-1-acetamido-2-ox...) Show SMILES [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3| Show InChI InChI=1S/C14H23N5O4/c1-7(20)17-11(12(21)19-3-2-4-19)9-5-8(13(22)23)6-10(9)18-14(15)16/h8-11H,2-6H2,1H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8?,9-,10-,11?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, 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 47: 1919-29 (2004) Article DOI: 10.1021/jm0303406 BindingDB Entry DOI: 10.7270/Q2NP22NH
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (N9))	BDBM4765 ((3S,4S)-3-[(1S)-2-(azetidin-1-yl)-1-acetamido-2-ox...) Show SMILES [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3| Show InChI InChI=1S/C14H23N5O4/c1-7(20)17-11(12(21)19-3-2-4-19)9-5-8(13(22)23)6-10(9)18-14(15)16/h8-11H,2-6H2,1H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8?,9-,10-,11?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, 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 47: 1919-29 (2004) Article DOI: 10.1021/jm0303406 BindingDB Entry DOI: 10.7270/Q2NP22NH
					More data for this Ligand-Target Pair