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BDBM50292880 2-(Trimethylsilyl)ethyl (Sodium 5-Acetamido-9-benzamido-3,5,9-trideoxy-D-glycero-alpha-D-galacto-2-nonulopyranosynate)-(2->3)-beta-D-galactopyranosyl-(1->3)-beta-D-galactopyranoside::CHEMBL455546

SMILES: CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](OCC[Si](C)(C)C)[C@@H]3O)[C@@H]2O)(O[C@H]1[C@@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O

InChI Key: InChIKey=ORVCSHVDVRZAIF-UYZMDXTGSA-M

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50292880   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Myelin-associated glycoprotein


(Homo sapiens (Human))
BDBM50292880
PNG
(2-(Trimethylsilyl)ethyl (Sodium 5-Acetamido-9-benz...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](OCC[Si](C)(C)C)[C@@H]3O)[C@@H]2O)(O[C@H]1[C@@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C35H56N2O19Si/c1-16(40)37-22-18(41)12-35(34(49)50,55-28(22)23(43)19(42)13-36-31(48)17-8-6-5-7-9-17)56-30-25(45)21(15-39)53-33(27(30)47)54-29-24(44)20(14-38)52-32(26(29)46)51-10-11-57(2,3)4/h5-9,18-30,32-33,38-39,41-47H,10-15H2,1-4H3,(H,36,48)(H,37,40)(H,49,50)/p-1/t18-,19+,20+,21+,22+,23-,24-,25-,26+,27+,28+,29-,30-,32+,33-,35-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.26E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to human IgG Fc-domain tagged MAG N-terminal domain expressed in CHO cells by surface plasmon resonance


J Med Chem 52: 989-1004 (2009)


Article DOI: 10.1021/jm801058n
BindingDB Entry DOI: 10.7270/Q2QV3MH2
More data for this
Ligand-Target Pair