Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50106752'   

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))	BDBM50106752 (1-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N1CCCC(C1)C(O)=O Show InChI InChI=1S/C28H36N4O5/c1-18(2)15-24(26(34)32-14-6-8-21(17-32)27(35)36)30-25(33)16-20-10-12-22(13-11-20)29-28(37)31-23-9-5-4-7-19(23)3/h4-5,7,9-13,18,21,24H,6,8,14-17H2,1-3H3,(H,30,33)(H,35,36)(H2,29,31,37)/t21?,24-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of VCAM-1 binding to integrin alpha4-beta1 of Jurkat cells				Bioorg Med Chem Lett 11: 3019-21 (2001) BindingDB Entry DOI: 10.7270/Q2MK6C6K
					More data for this Ligand-Target Pair