BDBM4742 (3S,4S)-3-[(S)-(butan-2-ylcarbamoyl)(acetamido)methyl]-4-carbamimidamidocyclopentane-1-carboxylic acid::Cyclopentane Amide deriv. 14e

SMILES: [#6]-[#6]-[#6](-[#6])-[#7]-[#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=IZTLSDCUYAZFJH-YESITCRYSA-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 = 4742   

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))	BDBM4742 ((3S,4S)-3-[(S)-(butan-2-ylcarbamoyl)(acetamido)met...) Show SMILES [#6]-[#6]-[#6](-[#6])-[#7]-[#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:14.21,7.7| Show InChI InChI=1S/C15H27N5O4/c1-4-7(2)18-13(22)12(19-8(3)21)10-5-9(14(23)24)6-11(10)20-15(16)17/h7,9-12H,4-6H2,1-3H3,(H,18,22)(H,19,21)(H,23,24)(H4,16,17,20)/t7?,9?,10-,11-,12?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+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))	BDBM4742 ((3S,4S)-3-[(S)-(butan-2-ylcarbamoyl)(acetamido)met...) Show SMILES [#6]-[#6]-[#6](-[#6])-[#7]-[#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:14.21,7.7| Show InChI InChI=1S/C15H27N5O4/c1-4-7(2)18-13(22)12(19-8(3)21)10-5-9(14(23)24)6-11(10)20-15(16)17/h7,9-12H,4-6H2,1-3H3,(H,18,22)(H,19,21)(H,23,24)(H4,16,17,20)/t7?,9?,10-,11-,12?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	6.5	37
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