BDBM50263707 (E)-3-{4-[3-(1-Methylene-1-oxo-hexahydro-1lambda*6*-thiopyran-4-ylamino)-phenylsulfanyl]-2,3-bis-trifluorethyl-phenyl}-1-morpholin-4-yl-propenone::CHEMBL487702

SMILES: FC(F)(F)c1c(Sc2cccc(NC3CCS(=C)(=O)CC3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F

InChI Key: InChIKey=PZFCKINMYJYVSY-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 = 50263707   

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))	BDBM50263707 ((E)-3-{4-[3-(1-Methylene-1-oxo-hexahydro-1lambda*6...) Show SMILES FC(F)(F)c1c(Sc2cccc(NC3CCS(=C)(=O)CC3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C27H28F6N2O3S2/c1-40(37)15-9-19(10-16-40)34-20-3-2-4-21(17-20)39-22-7-5-18(6-8-23(36)35-11-13-38-14-12-35)24(26(28,29)30)25(22)27(31,32)33/h2-8,17,19,34H,1,9-16H2/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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: 5249-51 (2008) Article DOI: 10.1016/j.bmcl.2008.08.061 BindingDB Entry DOI: 10.7270/Q2CV4HK0
					More data for this Ligand-Target Pair