BDBM50109911 (R)-3-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-methyl-azetidine-2-carbonyl]-amino}-3-(4-methoxy-phenyl)-propionic acid::CHEMBL348393

SMILES: COc1ccc(cc1)[C@@H](CC(O)=O)NC(=O)[C@]1(C)CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=NDTSMDJDMBJXNX-NQIIRXRSSA-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 = 50109911   

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))	BDBM50109911 ((R)-3-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-met...) Show SMILES COc1ccc(cc1)[C@@H](CC(O)=O)NC(=O)[C@]1(C)CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H22Cl2N2O6S/c1-21(7-8-25(21)32(29,30)17-10-14(22)9-15(23)11-17)20(28)24-18(12-19(26)27)13-3-5-16(31-2)6-4-13/h3-6,9-11,18H,7-8,12H2,1-2H3,(H,24,28)(H,26,27)/t18-,21+/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	1.5	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