Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-4' and Ligand = 'BDBM50309093'   

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 (Homo sapiens (Human))	BDBM50309093 (2-(1-(3-cyanophenylsulfonyl)-4-(3-methylpiperidin-...) Show SMILES CC1CCCN(C1)C1CC(N(C1)S(=O)(=O)c1cccc(c1)C#N)C(=O)NC(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O Show InChI InChI=1S/C33H34Cl2N6O6S/c1-20-4-3-11-40(18-20)24-14-29(41(19-24)48(46,47)25-6-2-5-22(12-25)15-36)31(42)39-28(33(44)45)13-21-7-9-23(10-8-21)38-32(43)30-26(34)16-37-17-27(30)35/h2,5-10,12,16-17,20,24,28-29H,3-4,11,13-14,18-19H2,1H3,(H,38,43)(H,39,42)(H,44,45)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human VLA4 in presence of 90% human plasma				Bioorg Med Chem Lett 20: 1173-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.009 BindingDB Entry DOI: 10.7270/Q2VH5NZV
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50309093 (2-(1-(3-cyanophenylsulfonyl)-4-(3-methylpiperidin-...) Show SMILES CC1CCCN(C1)C1CC(N(C1)S(=O)(=O)c1cccc(c1)C#N)C(=O)NC(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O Show InChI InChI=1S/C33H34Cl2N6O6S/c1-20-4-3-11-40(18-20)24-14-29(41(19-24)48(46,47)25-6-2-5-22(12-25)15-36)31(42)39-28(33(44)45)13-21-7-9-23(10-8-21)38-32(43)30-26(34)16-37-17-27(30)35/h2,5-10,12,16-17,20,24,28-29H,3-4,11,13-14,18-19H2,1H3,(H,38,43)(H,39,42)(H,44,45)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human VLA4				Bioorg Med Chem Lett 20: 1173-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.009 BindingDB Entry DOI: 10.7270/Q2VH5NZV
					More data for this Ligand-Target Pair