BDBM50263655 (E)-3-(4-(3-(cyclobutylamino)phenylthio)-2,3-bis(trifluoromethyl)phenyl)-1-morpholinoprop-2-en-1-one::CHEMBL477593

SMILES: FC(F)(F)c1c(Sc2cccc(NC3CCC3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F

InChI Key: InChIKey=NPMNYUOXEKFFIQ-CSKARUKUSA-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 = 50263655   

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))	BDBM50263655 ((E)-3-(4-(3-(cyclobutylamino)phenylthio)-2,3-bis(t...) Show SMILES FC(F)(F)c1c(Sc2cccc(NC3CCC3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C25H24F6N2O2S/c26-24(27,28)22-16(8-10-21(34)33-11-13-35-14-12-33)7-9-20(23(22)25(29,30)31)36-19-6-2-5-18(15-19)32-17-3-1-4-17/h2,5-10,15,17,32H,1,3-4,11-14H2/b10-8+	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	19	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