BDBM50107159 3-[4-(2,3-Dichloro-phenylsulfanyl)-phenyl]-1-morpholin-4-yl-propenone::CHEMBL342451

SMILES: Clc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)cc2)c1Cl

InChI Key: InChIKey=GNGUAHGPWQMEFR-RMKNXTFCSA-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 = 50107159   

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))	BDBM50107159 (3-[4-(2,3-Dichloro-phenylsulfanyl)-phenyl]-1-morph...) Show SMILES Clc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)cc2)c1Cl Show InChI InChI=1S/C19H17Cl2NO2S/c20-16-2-1-3-17(19(16)21)25-15-7-4-14(5-8-15)6-9-18(23)22-10-12-24-13-11-22/h1-9H,10-13H2/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair