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BDBM50265106 (E)-3-(4-(2-(cyclohexyloxy)phenylthio)-2,3-bis(trifluoromethyl)phenyl)-1-morpholinoprop-2-en-1-one::CHEMBL496314

SMILES: FC(F)(F)c1c(Sc2ccccc2OC2CCCCC2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F

InChI Key: InChIKey=QOPHPRIAHZKBGU-ACCUITESSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265106   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50265106
PNG
((E)-3-(4-(2-(cyclohexyloxy)phenylthio)-2,3-bis(tri...)
Show SMILES FC(F)(F)c1c(Sc2ccccc2OC2CCCCC2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F
Show InChI InChI=1S/C27H27F6NO3S/c28-26(29,30)24-18(11-13-23(35)34-14-16-36-17-15-34)10-12-22(25(24)27(31,32)33)38-21-9-5-4-8-20(21)37-19-6-2-1-3-7-19/h4-5,8-13,19H,1-3,6-7,14-17H2/b13-11+
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Article
PubMed
n/an/a 8.90n/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