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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 269.2
BDBM408864

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408864
PNG
(US10376531, Compound 26 | US10813942, Compound 26)
Show SMILES CS(=O)(=O)N[C@H]1[C@H]2OC[C@](CO)(O2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H15NO7S/c1-17(13,14)9-4-5(11)6(12)8(2-10)3-15-7(4)16-8/h4-7,9-12H,2-3H2,1H3/t4-,5-,6-,7?,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.12E+5n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25° C. Biotinylated ASGPR was immobilized typically at 200...


US Patent US10813942 (2020)


BindingDB Entry DOI: 10.7270/Q28G8PSJ
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408864
PNG
(US10376531, Compound 26 | US10813942, Compound 26)
Show SMILES CS(=O)(=O)N[C@H]1[C@H]2OC[C@](CO)(O2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H15NO7S/c1-17(13,14)9-4-5(11)6(12)8(2-10)3-15-7(4)16-8/h4-7,9-12H,2-3H2,1H3/t4-,5-,6-,7?,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 6.00E+4n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25° C. Biotinylated ASGPR was immobilized typically at 200...


US Patent US10376531 (2019)


BindingDB Entry DOI: 10.7270/Q2542QZJ
More data for this
Ligand-Target Pair