BindingDB logo
myBDB logout

BDBM50510690 CHEMBL4448803

SMILES: CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CC(=O)NC)nn2)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=UZVVRJWTGBMEFU-YQVWRLOYSA-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 = 50510690   
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


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50510690
PNG
(CHEMBL4448803)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CC(=O)NC)nn2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C20H32N6O5/c1-5-15(6-2)31-17-8-13(20(29)30)7-16(19(17)23-12(3)27)22-9-14-10-26(25-24-14)11-18(28)21-4/h8,10,15-17,19,22H,5-7,9,11H2,1-4H3,(H,21,28)(H,23,27)(H,29,30)/t16-,17+,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 740n/an/an/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/Nakorn-Patom/Thailand/CU-K2-2004 Neuraminidase N1 at pH 7.4 by DIANA assay

Bioorg Med Chem 27: 2935-2947 (2019)


Article DOI: 10.1016/j.bmc.2019.05.024
More data for this
Ligand-Target Pair