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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 = 'BDBM50263597'   
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))
BDBM50263597
PNG
((E)-3-(4-(3-(dimethylamino)phenylthio)-2,3-bis(tri...)
Show SMILES CN(C)c1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C23H22F6N2O2S/c1-30(2)16-4-3-5-17(14-16)34-18-8-6-15(7-9-19(32)31-10-12-33-13-11-31)20(22(24,25)26)21(18)23(27,28)29/h3-9,14H,10-13H2,1-2H3/b9-7+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/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