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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hemagglutinin' and Ligand = 'BDBM50148911'   
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
Hemagglutinin


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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MCE
KEGG
PC cid
PC sid
PDB
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Article
PubMed
n/an/an/a 4.65E+4n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Influenza A virus (A/California/04/2009 (H1N1)) hemagglutinin by SPR assay


Eur J Med Chem 163: 560-568 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.006
BindingDB Entry DOI: 10.7270/Q2PZ5D9C
More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 4.65E+4n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Influenza A virus (A/California/04/2009 (H1N1)) hemagglutinin by SPR assay


Eur J Med Chem 163: 560-568 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.006
BindingDB Entry DOI: 10.7270/Q2PZ5D9C
More data for this
Ligand-Target Pair