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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50338168   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338168
PNG
((S)-2-benzamido-3-(4-(dimethylcarbamoyloxy)phenyl)...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C19H20N2O5/c1-21(2)19(25)26-15-10-8-13(9-11-15)12-16(18(23)24)20-17(22)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,20,22)(H,23,24)/t16-/m0/s1
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Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair