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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 275.2
BDBM408856

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))
BDBM408856
PNG
(US10376531, Compound 18 | US10813942, Compound 18)
Show SMILES CCCOC[C@@]12CO[C@@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O |r|
Show InChI InChI=1S/C12H21NO6/c1-3-4-17-5-12-6-18-11(19-12)8(13-7(2)14)9(15)10(12)16/h8-11,15-16H,3-6H2,1-2H3,(H,13,14)/t8-,9-,10-,11?,12+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 3.00E+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))
BDBM408856
PNG
(US10376531, Compound 18 | US10813942, Compound 18)
Show SMILES CCCOC[C@@]12CO[C@@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O |r|
Show InChI InChI=1S/C12H21NO6/c1-3-4-17-5-12-6-18-11(19-12)8(13-7(2)14)9(15)10(12)16/h8-11,15-16H,3-6H2,1-2H3,(H,13,14)/t8-,9-,10-,11?,12+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 3.10E+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