BDBM50265322 (E)-3-(4-(2-((1H-imidazol-4-yl)methoxy)phenylthio)-2,3-bis(trifluoromethyl)phenyl)-1-morpholinoprop-2-en-1-one::CHEMBL495518

SMILES: FC(F)(F)c1c(Sc2ccccc2OCc2cnc[nH]2)ccc(C=CC(=O)N2CCOCC2)c1C(F)(F)F

InChI Key: InChIKey=VZSWCQOTQDDSHT-UHFFFAOYSA-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 = 50265322   

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))	BDBM50265322 ((E)-3-(4-(2-((1H-imidazol-4-yl)methoxy)phenylthio)...) Show SMILES FC(F)(F)c1c(Sc2ccccc2OCc2cnc[nH]2)ccc(C=CC(=O)N2CCOCC2)c1C(F)(F)F |w:23.24| Show InChI InChI=1S/C25H21F6N3O3S/c26-24(27,28)22-16(6-8-21(35)34-9-11-36-12-10-34)5-7-20(23(22)25(29,30)31)38-19-4-2-1-3-18(19)37-14-17-13-32-15-33-17/h1-8,13,15H,9-12,14H2,(H,32,33)	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	9.5	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