BindingDB logo
myBDB logout

BDBM50233727 (2R,4S,5R)-5-((1R,2S)-1-acetamido-2-(allyloxy)but-3-enyl)-4-(prop-1-enyl)pyrrolidine-2-carboxylic acid::CHEMBL254883

SMILES: C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](OCC=C)C=C)C(O)=O

InChI Key: InChIKey=RPJMKEMUMDZIJM-FEWASXDYSA-N

Data: 1 KI

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 1 hit for monomerid = 50233727   
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))		BDBM50233727
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-(allyloxy)but-...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](OCC=C)C=C)C(O)=O
Show InChI InChI=1S/C17H26N2O4/c1-5-8-12-10-13(17(21)22)19-15(12)16(18-11(4)20)14(7-3)23-9-6-2/h5-8,12-16,19H,2-3,9-10H2,1,4H3,(H,18,20)(H,21,22)/b8-5-/t12-,13-,14+,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase

Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair