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BDBM4772 (3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-(3-methylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid::Cyclopentane Amide deriv. 16h

SMILES: [#6]-[#6]-1-[#6]-[#6]-[#6]-[#7](-[#6]-1)-[#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=QGEKREBETACSPJ-UOKOURQSSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 4772   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM4772
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-(3...)
Show SMILES CC1CCCN(C1)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C17H29N5O4/c1-9-4-3-5-22(8-9)15(24)14(20-10(2)23)12-6-11(16(25)26)7-13(12)21-17(18)19/h9,11-14H,3-8H2,1-2H3,(H,20,23)(H,25,26)(H4,18,19,21)/t9?,11?,12-,13-,14?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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))
BDBM4772
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-(3...)
Show SMILES CC1CCCN(C1)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C17H29N5O4/c1-9-4-3-5-22(8-9)15(24)14(20-10(2)23)12-6-11(16(25)26)7-13(12)21-17(18)19/h9,11-14H,3-8H2,1-2H3,(H,20,23)(H,25,26)(H4,18,19,21)/t9?,11?,12-,13-,14?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.55E+3n/an/an/an/an/an/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