BDBM4744 (3S,4S)-3-carbamimidamido-4-[(S)-acetamido(pentan-2-ylcarbamoyl)methyl]cyclopentane-1-carboxylic acid::Cyclopentane Amide deriv. 14g

SMILES: [#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=HHXVMMPYJYJVBV-REMVFMDPSA-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 = 4744   

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))	BDBM4744 ((3S,4S)-3-carbamimidamido-4-[(S)-acetamido(pentan-...) Show SMILES [#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:15.22,8.8| Show InChI InChI=1S/C16H29N5O4/c1-4-5-8(2)19-14(23)13(20-9(3)22)11-6-10(15(24)25)7-12(11)21-16(17)18/h8,10-13H,4-7H2,1-3H3,(H,19,23)(H,20,22)(H,24,25)(H4,17,18,21)/t8?,10?,11-,12-,13?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+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))	BDBM4744 ((3S,4S)-3-carbamimidamido-4-[(S)-acetamido(pentan-...) Show SMILES [#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:15.22,8.8| Show InChI InChI=1S/C16H29N5O4/c1-4-5-8(2)19-14(23)13(20-9(3)22)11-6-10(15(24)25)7-12(11)21-16(17)18/h8,10-13H,4-7H2,1-3H3,(H,19,23)(H,20,22)(H,24,25)(H4,17,18,21)/t8?,10?,11-,12-,13?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+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