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BDBM50327100 CHEMBL1254194::sodium(1R,3R,4R,5S)-5-acetamido-1-(benzyloxy)-3-(2-(4-chlorobenzamido)ethoxy)-4-(2-fluoroacetamido)cyclohexo-1-carboxylate

SMILES: CC(=O)N[C@H]1C[C@](C[C@@H](OCCNC(=O)c2ccc(Cl)cc2)[C@@H]1NC(=O)CF)(OCc1ccccc1)C([O-])=O

InChI Key: InChIKey=PAPRRJCMFZSGLI-CXTNQITHSA-M

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50327100   
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


(Mus musculus)		BDBM50327100
PNG
(CHEMBL1254194 | sodium(1R,3R,4R,5S)-5-acetamido-1-...)
Show SMILES CC(=O)N[C@H]1C[C@](C[C@@H](OCCNC(=O)c2ccc(Cl)cc2)[C@@H]1NC(=O)CF)(OCc1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C27H31ClFN3O7/c1-17(33)31-21-13-27(26(36)37,39-16-18-5-3-2-4-6-18)14-22(24(21)32-23(34)15-29)38-12-11-30-25(35)19-7-9-20(28)10-8-19/h2-10,21-22,24H,11-16H2,1H3,(H,30,35)(H,31,33)(H,32,34)(H,36,37)/p-1/t21-,22+,24+,27+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>8.00E+5n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc domain expressed in CHO-Lec1 cells by surface plasmon resonance

Bioorg Med Chem 18: 7239-51 (2010)


Article DOI: 10.1016/j.bmc.2010.08.027
BindingDB Entry DOI: 10.7270/Q2CV4J0S
More data for this
Ligand-Target Pair