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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 = 'BDBM50264875'   
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))
BDBM50264875
PNG
((E)-1-morpholino-3-(4-(3-(pyridin-3-ylmethoxy)phen...)
Show SMILES FC(F)(F)c1c(Sc2cccc(OCc3cccnc3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F
Show InChI InChI=1S/C27H22F6N2O3S/c28-26(29,30)24-19(7-9-23(36)35-11-13-37-14-12-35)6-8-22(25(24)27(31,32)33)39-21-5-1-4-20(15-21)38-17-18-3-2-10-34-16-18/h1-10,15-16H,11-14,17H2/b9-7+
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 69n/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