BDBM4748 (3S,4S)-3-carbamimidamido-4-[(S)-acetamido[(2-phenylethyl)carbamoyl]methyl]cyclopentane-1-carboxylic acid::Cyclopentane Amide deriv. 14k

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]-[#6]-[#6]-c1ccccc1

InChI Key: InChIKey=KCKYNOWDDSHDIY-PYBGIAKNSA-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 = 4748   

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))	BDBM4748 ((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[(2-phen...) 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]-[#6]-[#6]-c1ccccc1 |r,w:7.14,4.3| Show InChI InChI=1S/C19H27N5O4/c1-11(25)23-16(17(26)22-8-7-12-5-3-2-4-6-12)14-9-13(18(27)28)10-15(14)24-19(20)21/h2-6,13-16H,7-10H2,1H3,(H,22,26)(H,23,25)(H,27,28)(H4,20,21,24)/t13?,14-,15-,16?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.05E+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))	BDBM4748 ((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[(2-phen...) 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]-[#6]-[#6]-c1ccccc1 |r,w:7.14,4.3| Show InChI InChI=1S/C19H27N5O4/c1-11(25)23-16(17(26)22-8-7-12-5-3-2-4-6-12)14-9-13(18(27)28)10-15(14)24-19(20)21/h2-6,13-16H,7-10H2,1H3,(H,22,26)(H,23,25)(H,27,28)(H4,20,21,24)/t13?,14-,15-,16?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+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