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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 287.1
BDBM408863

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))
BDBM408863
PNG
(US10376531, Compound 24 | US10813942, Compound 24)
Show SMILES OC[C@@]12CO[C@@H](O1)[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H]2O |r|
Show InChI InChI=1S/C9H12F3NO6/c10-9(11,12)7(17)13-3-4(15)5(16)8(1-14)2-18-6(3)19-8/h3-6,14-16H,1-2H2,(H,13,17)/t3-,4-,5-,6?,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.40E+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))
BDBM408863
PNG
(US10376531, Compound 24 | US10813942, Compound 24)
Show SMILES OC[C@@]12CO[C@@H](O1)[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H]2O |r|
Show InChI InChI=1S/C9H12F3NO6/c10-9(11,12)7(17)13-3-4(15)5(16)8(1-14)2-18-6(3)19-8/h3-6,14-16H,1-2H2,(H,13,17)/t3-,4-,5-,6?,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.10E+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