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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 = 'BDBM50265189'   
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))
BDBM50265189
PNG
((E)-1-morpholino-3-(4-(2-(tetrahydro-2H-thiopyran-...)
Show SMILES FC(F)(F)c1c(Sc2ccccc2OC2CCSCC2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F
Show InChI InChI=1S/C26H25F6NO3S2/c27-25(28,29)23-17(6-8-22(34)33-11-13-35-14-12-33)5-7-21(24(23)26(30,31)32)38-20-4-2-1-3-19(20)36-18-9-15-37-16-10-18/h1-8,18H,9-16H2/b8-6+
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n/an/a 55n/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: 5245-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1
More data for this
Ligand-Target Pair