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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50465967   
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-4


(Homo sapiens (Human))
BDBM50465967
PNG
(CHEMBL4285561)
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(CCCCC)nn1 |r,c:3|
Show InChI InChI=1S/C18H28N4O7/c1-3-4-5-6-11-8-22(21-20-11)9-13(25)16(26)17-15(19-10(2)23)12(24)7-14(29-17)18(27)28/h7-8,12-13,15-17,24-26H,3-6,9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,15+,16+,17+/m0/s1
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PC sid
UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition ...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50465967
PNG
(CHEMBL4285561)
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(CCCCC)nn1 |r,c:3|
Show InChI InChI=1S/C18H28N4O7/c1-3-4-5-6-11-8-22(21-20-11)9-13(25)16(26)17-15(19-10(2)23)12(24)7-14(29-17)18(27)28/h7-8,12-13,15-17,24-26H,3-6,9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,15+,16+,17+/m0/s1
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair
Sialidase-1


(Homo sapiens (Human))
BDBM50465967
PNG
(CHEMBL4285561)
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(CCCCC)nn1 |r,c:3|
Show InChI InChI=1S/C18H28N4O7/c1-3-4-5-6-11-8-22(21-20-11)9-13(25)16(26)17-15(19-10(2)23)12(24)7-14(29-17)18(27)28/h7-8,12-13,15-17,24-26H,3-6,9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,15+,16+,17+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair
Sialidase-2


(Homo sapiens (Human))
BDBM50465967
PNG
(CHEMBL4285561)
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(CCCCC)nn1 |r,c:3|
Show InChI InChI=1S/C18H28N4O7/c1-3-4-5-6-11-8-22(21-20-11)9-13(25)16(26)17-15(19-10(2)23)12(24)7-14(29-17)18(27)28/h7-8,12-13,15-17,24-26H,3-6,9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,15+,16+,17+/m0/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.50E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair