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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-L/beta-2 (LFA-1)' and Ligand = 'BDBM50263708'   
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
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50263708
PNG
((E)-1-morpholino-3-(4-(3-(tetrahydro-2H-pyran-4-yl...)
Show SMILES FC(F)(F)c1c(Sc2cccc(NC3CCOCC3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F
Show InChI InChI=1S/C26H26F6N2O3S/c27-25(28,29)23-17(5-7-22(35)34-10-14-37-15-11-34)4-6-21(24(23)26(30,31)32)38-20-3-1-2-19(16-20)33-18-8-12-36-13-9-18/h1-7,16,18,33H,8-15H2/b7-5+
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Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method


Bioorg Med Chem Lett 18: 5249-51 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.061
BindingDB Entry DOI: 10.7270/Q2CV4HK0
More data for this
Ligand-Target Pair