Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50124231'   

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))	BDBM50124231 (2-{[1-((S)-Ethanesulfonyl)-cyclopentanecarbonyl]-a...) Show SMILES CCS(=O)(=O)C1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1OC)C(O)=O Show InChI InChI=1S/C24H29NO6S/c1-3-32(29,30)24(14-6-7-15-24)23(28)25-20(22(26)27)16-17-10-12-18(13-11-17)19-8-4-5-9-21(19)31-2/h4-5,8-13,20H,3,6-7,14-16H2,1-2H3,(H,25,28)(H,26,27)/t20-/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	0.530	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