Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50109899   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50109899 ((R)-3-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrro...) Show SMILES CCOc1ccc(cc1)[C@@H](CC(O)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C22H24Cl2N2O6S/c1-2-32-17-7-5-14(6-8-17)19(13-21(27)28)25-22(29)20-4-3-9-26(20)33(30,31)18-11-15(23)10-16(24)12-18/h5-8,10-12,19-20H,2-4,9,13H2,1H3,(H,25,29)(H,27,28)/t19-,20+/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	0.270	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
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