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SMILES: FC(F)(F)c1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccc2OCCOc2c1

InChI Key: InChIKey=WMVBIMANSHYFBJ-QHHAFSJGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107187   
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


(Homo sapiens (Human))		BDBM50107187
PNG
(3-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-3...)
Show SMILES FC(F)(F)c1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccc2OCCOc2c1
Show InChI InChI=1S/C22H20F3NO4S/c23-22(24,25)17-13-15(2-6-21(27)26-7-9-28-10-8-26)1-5-20(17)31-16-3-4-18-19(14-16)30-12-11-29-18/h1-6,13-14H,7-12H2/b6-2+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(30-30)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair