BDBM4747 (3S,4S)-3-carbamimidamido-4-[(S)-acetamido(heptan-3-ylcarbamoyl)methyl]cyclopentane-1-carboxylic acid::Cyclopentane Amide deriv. 14j

SMILES: [#6]-[#6]-[#6]-[#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=MFGGZOXRUQUDRB-SNCKBNSDSA-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 = 4747   

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))	BDBM4747 ((3S,4S)-3-carbamimidamido-4-[(S)-acetamido(heptan-...) Show SMILES [#6]-[#6]-[#6]-[#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:17.24,10.10| Show InChI InChI=1S/C18H33N5O4/c1-4-6-7-12(5-2)22-16(25)15(21-10(3)24)13-8-11(17(26)27)9-14(13)23-18(19)20/h11-15H,4-9H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)(H4,19,20,23)/t11?,12?,13-,14-,15?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+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))	BDBM4747 ((3S,4S)-3-carbamimidamido-4-[(S)-acetamido(heptan-...) Show SMILES [#6]-[#6]-[#6]-[#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:17.24,10.10| Show InChI InChI=1S/C18H33N5O4/c1-4-6-7-12(5-2)22-16(25)15(21-10(3)24)13-8-11(17(26)27)9-14(13)23-18(19)20/h11-15H,4-9H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)(H4,19,20,23)/t11?,12?,13-,14-,15?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	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