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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50028506'   
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
Neuraminidase


(Influenza A virus)
BDBM50028506
PNG
(CHEMBL3342469)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCC(C)C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C18H32N2O4/c1-6-14(7-2)24-16-9-13(18(22)23)8-15(19-10-11(3)4)17(16)20-12(5)21/h9,11,14-17,19H,6-8,10H2,1-5H3,(H,20,21)(H,22,23)/t15-,16+,17+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/chicken/china/1220/2012(H5N1) Neuraminidase N1


J Med Chem 57: 8445-58 (2014)


Article DOI: 10.1021/jm500892k
BindingDB Entry DOI: 10.7270/Q2Z039QK
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028506
PNG
(CHEMBL3342469)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCC(C)C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C18H32N2O4/c1-6-14(7-2)24-16-9-13(18(22)23)8-15(19-10-11(3)4)17(16)20-12(5)21/h9,11,14-17,19H,6-8,10H2,1-5H3,(H,20,21)(H,22,23)/t15-,16+,17+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


J Med Chem 57: 8445-58 (2014)


Article DOI: 10.1021/jm500892k
BindingDB Entry DOI: 10.7270/Q2Z039QK
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028506
PNG
(CHEMBL3342469)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCC(C)C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C18H32N2O4/c1-6-14(7-2)24-16-9-13(18(22)23)8-15(19-10-11(3)4)17(16)20-12(5)21/h9,11,14-17,19H,6-8,10H2,1-5H3,(H,20,21)(H,22,23)/t15-,16+,17+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


J Med Chem 57: 8445-58 (2014)


Article DOI: 10.1021/jm500892k
BindingDB Entry DOI: 10.7270/Q2Z039QK
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028506
PNG
(CHEMBL3342469)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCC(C)C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C18H32N2O4/c1-6-14(7-2)24-16-9-13(18(22)23)8-15(19-10-11(3)4)17(16)20-12(5)21/h9,11,14-17,19H,6-8,10H2,1-5H3,(H,20,21)(H,22,23)/t15-,16+,17+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) Neuraminidase


J Med Chem 57: 8445-58 (2014)


Article DOI: 10.1021/jm500892k
BindingDB Entry DOI: 10.7270/Q2Z039QK
More data for this
Ligand-Target Pair