BDBM4761 (3S,4S)-3-[(S)-[benzyl(ethyl)carbamoyl](acetamido)methyl]-4-carbamimidamidocyclopentane-1-carboxylic acid::Cyclopentane Amide deriv. 15j

SMILES: [#6]-[#6]-[#7](-[#6]-c1ccccc1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=NXFYJBBPKMHISJ-YZUHTNEWSA-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 = 4761   

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))	BDBM4761 ((3S,4S)-3-[(S)-[benzyl(ethyl)carbamoyl](acetamido)...) Show SMILES [#6]-[#6]-[#7](-[#6]-c1ccccc1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:19.27,12.13| Show InChI InChI=1S/C20H29N5O4/c1-3-25(11-13-7-5-4-6-8-13)18(27)17(23-12(2)26)15-9-14(19(28)29)10-16(15)24-20(21)22/h4-8,14-17H,3,9-11H2,1-2H3,(H,23,26)(H,28,29)(H4,21,22,24)/t14?,15-,16-,17?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	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))	BDBM4761 ((3S,4S)-3-[(S)-[benzyl(ethyl)carbamoyl](acetamido)...) Show SMILES [#6]-[#6]-[#7](-[#6]-c1ccccc1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:19.27,12.13| Show InChI InChI=1S/C20H29N5O4/c1-3-25(11-13-7-5-4-6-8-13)18(27)17(23-12(2)26)15-9-14(19(28)29)10-16(15)24-20(21)22/h4-8,14-17H,3,9-11H2,1-2H3,(H,23,26)(H,28,29)(H4,21,22,24)/t14?,15-,16-,17?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	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