BDBM50109902 (R)-3-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-azetidine-2-carbonyl]-amino}-3-(4-fluoromethoxy-phenyl)-propionic acid::CHEMBL155372

SMILES: OC(=O)C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(OCF)cc1

InChI Key: InChIKey=SALKSINYSDSNQB-MSOLQXFVSA-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 = 50109902   

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
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50109902 ((R)-3-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-azeti...) Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(OCF)cc1 Show InChI InChI=1S/C20H19Cl2FN2O6S/c21-13-7-14(22)9-16(8-13)32(29,30)25-6-5-18(25)20(28)24-17(10-19(26)27)12-1-3-15(4-2-12)31-11-23/h1-4,7-9,17-18H,5-6,10-11H2,(H,24,28)(H,26,27)/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha-4 beta-1 receptor (VLA-4) in human RPMI-8866 cells using [125I]-VCAM-Ig ligand				Bioorg Med Chem Lett 12: 611-4 (2002) BindingDB Entry DOI: 10.7270/Q29P30Z0
					More data for this Ligand-Target Pair