Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50124264'   

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))	BDBM50124264 (3-(2'-Methoxy-biphenyl-4-yl)-2-{[1-((S)-toluene-3-...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCCC2)S(=O)(=O)c2cccc(C)c2)C(O)=O)cc1 Show InChI InChI=1S/C30H33NO6S/c1-21-9-8-10-24(19-21)38(35,36)30(17-6-3-7-18-30)29(34)31-26(28(32)33)20-22-13-15-23(16-14-22)25-11-4-5-12-27(25)37-2/h4-5,8-16,19,26H,3,6-7,17-18,20H2,1-2H3,(H,31,34)(H,32,33)/t26-/m0/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	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards VLA-4 (alpha4 beta-1) receptor in human Jurkat cells using [125I]VCAM-Ig as radioligand				Bioorg Med Chem Lett 13: 885-90 (2003) BindingDB Entry DOI: 10.7270/Q2X34WVH
					More data for this Ligand-Target Pair