Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50124287'   

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))	BDBM50124287 (2-{[4-((S)-Benzenesulfonyl)-1-methyl-piperidine-4-...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCN(C)CC2)S(=O)(=O)c2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C29H32N2O6S/c1-31-18-16-29(17-19-31,38(35,36)23-8-4-3-5-9-23)28(34)30-25(27(32)33)20-21-12-14-22(15-13-21)24-10-6-7-11-26(24)37-2/h3-15,25H,16-20H2,1-2H3,(H,30,34)(H,32,33)/t25-/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	3	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