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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50338301   
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)
BDBM50338301
PNG
(CHEMBL1682260 | hypholomine B)
Show SMILES Oc1cc(oc(=O)c1)[C@@H]1[C@H](Oc2cc(\C=C\c3ccc(O)c(O)c3)oc(=O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C26H18O10/c27-14-9-20(35-22(32)10-14)23-24-21(36-25(23)13-3-6-17(29)19(31)8-13)11-15(34-26(24)33)4-1-12-2-5-16(28)18(30)7-12/h1-11,23,25,27-31H/b4-1+/t23-,25+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+4n/an/an/an/an/an/a



Chonbuk National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza A virus H5N1 neuraminidase


Bioorg Med Chem Lett 25: 3256-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.081
BindingDB Entry DOI: 10.7270/Q24F1TQ2
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50338301
PNG
(CHEMBL1682260 | hypholomine B)
Show SMILES Oc1cc(oc(=O)c1)[C@@H]1[C@H](Oc2cc(\C=C\c3ccc(O)c(O)c3)oc(=O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C26H18O10/c27-14-9-20(35-22(32)10-14)23-24-21(36-25(23)13-3-6-17(29)19(31)8-13)11-15(34-26(24)33)4-1-12-2-5-16(28)18(30)7-12/h1-11,23,25,27-31H/b4-1+/t23-,25+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



Chonbuk National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza A virus H3N2 neuraminidase


Bioorg Med Chem Lett 25: 3256-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.081
BindingDB Entry DOI: 10.7270/Q24F1TQ2
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]


(Staphylococcus aureus)
BDBM50338301
PNG
(CHEMBL1682260 | hypholomine B)
Show SMILES Oc1cc(oc(=O)c1)[C@@H]1[C@H](Oc2cc(\C=C\c3ccc(O)c(O)c3)oc(=O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C26H18O10/c27-14-9-20(35-22(32)10-14)23-24-21(36-25(23)13-3-6-17(29)19(31)8-13)11-15(34-26(24)33)4-1-12-2-5-16(28)18(30)7-12/h1-11,23,25,27-31H/b4-1+/t23-,25+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus enoyl-ACP reductase assessed as increase of NADPH level


Bioorg Med Chem Lett 21: 1716-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.080
BindingDB Entry DOI: 10.7270/Q29W0FRM
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50338301
PNG
(CHEMBL1682260 | hypholomine B)
Show SMILES Oc1cc(oc(=O)c1)[C@@H]1[C@H](Oc2cc(\C=C\c3ccc(O)c(O)c3)oc(=O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C26H18O10/c27-14-9-20(35-22(32)10-14)23-24-21(36-25(23)13-3-6-17(29)19(31)8-13)11-15(34-26(24)33)4-1-12-2-5-16(28)18(30)7-12/h1-11,23,25,27-31H/b4-1+/t23-,25+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.29E+4n/an/an/an/an/an/a



Chonbuk National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza A virus H1N1 neuraminidase


Bioorg Med Chem Lett 25: 3256-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.081
BindingDB Entry DOI: 10.7270/Q24F1TQ2
More data for this
Ligand-Target Pair