new BindingDB logo
myBDB logout

BDBM50265147 (E)-1-morpholino-3-(4-(2-(piperidin-4-yloxy)phenylthio)-2,3-bis(trifluoromethyl)phenyl)prop-2-en-1-one::CHEMBL521708

SMILES: FC(F)(F)c1c(Sc2ccccc2OC2CCNCC2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F

InChI Key: InChIKey=FZYXWDXHAVNVET-SOFGYWHQSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265147   
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))
BDBM50265147
PNG
((E)-1-morpholino-3-(4-(2-(piperidin-4-yloxy)phenyl...)
Show SMILES FC(F)(F)c1c(Sc2ccccc2OC2CCNCC2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F
Show InChI InChI=1S/C26H26F6N2O3S/c27-25(28,29)23-17(6-8-22(35)34-13-15-36-16-14-34)5-7-21(24(23)26(30,31)32)38-20-4-2-1-3-19(20)37-18-9-11-33-12-10-18/h1-8,18,33H,9-16H2/b8-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2n/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