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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase A' and Ligand = 'BDBM50466472'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sialidase A


(Streptococcus pneumoniae)		BDBM50466472
PNG
(CHEMBL4289476)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(C[C@H](N)C(=O)N[C@H](CCC(O)=O)C(N)=O)nn1 |r,c:3|
Show InChI InChI=1S/C21H31N7O11/c1-8(29)24-16-12(30)5-14(21(37)38)39-18(16)17(34)13(31)7-28-6-9(26-27-28)4-10(22)20(36)25-11(19(23)35)2-3-15(32)33/h5-6,10-13,16-18,30-31,34H,2-4,7,22H2,1H3,(H2,23,35)(H,24,29)(H,25,36)(H,32,33)(H,37,38)/t10-,11+,12-,13+,16+,17+,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.56E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae NanA using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay

Bioorg Med Chem 26: 5751-5757 (2018)


Article DOI: 10.1016/j.bmc.2018.10.028
BindingDB Entry DOI: 10.7270/Q2BK1G2N
More data for this
Ligand-Target Pair