BDBM50265189 (E)-1-morpholino-3-(4-(2-(tetrahydro-2H-thiopyran-4-yloxy)phenylthio)-2,3-bis(trifluoromethyl)phenyl)prop-2-en-1-one::CHEMBL496738

SMILES: FC(F)(F)c1c(Sc2ccccc2OC2CCSCC2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F

InChI Key: InChIKey=ZZSDJBZHPJZXBL-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 = 50265189   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Integrin alpha-L/beta-2 (LFA-1) (Homo sapiens (Human))	BDBM50265189 ((E)-1-morpholino-3-(4-(2-(tetrahydro-2H-thiopyran-...) Show SMILES FC(F)(F)c1c(Sc2ccccc2OC2CCSCC2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C26H25F6NO3S2/c27-25(28,29)23-17(6-8-22(34)33-11-13-35-14-12-33)5-7-21(24(23)26(30,31)32)38-20-4-2-1-3-19(20)36-18-9-15-37-16-10-18/h1-8,18H,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 Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/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