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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 423.4
BDBM408861

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))
BDBM408861
PNG
(US10376531, Compound 22 | US10813942, Compound 22)
Show SMILES COCCOCCOCCOCCOC[C@@]12CO[C@@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O |r|
Show InChI InChI=1S/C18H33NO10/c1-13(20)19-14-15(21)16(22)18(12-28-17(14)29-18)11-27-10-9-26-8-7-25-6-5-24-4-3-23-2/h14-17,21-22H,3-12H2,1-2H3,(H,19,20)/t14-,15-,16-,17?,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 6.50E+3n/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))
BDBM408861
PNG
(US10376531, Compound 22 | US10813942, Compound 22)
Show SMILES COCCOCCOCCOCCOC[C@@]12CO[C@@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O |r|
Show InChI InChI=1S/C18H33NO10/c1-13(20)19-14-15(21)16(22)18(12-28-17(14)29-18)11-27-10-9-26-8-7-25-6-5-24-4-3-23-2/h14-17,21-22H,3-12H2,1-2H3,(H,19,20)/t14-,15-,16-,17?,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.50E+3n/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