Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50144792'   

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))	BDBM50144792 ((S)-2-(2,6-Dichloro-benzoylamino)-3-[2-(2,6-dichlo...) Show SMILES OC(=O)[C@H](Cc1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H15Cl4N3O3/c24-12-3-1-4-13(25)19(12)21-28-16-8-7-11(9-17(16)29-21)10-18(23(32)33)30-22(31)20-14(26)5-2-6-15(20)27/h1-9,18H,10H2,(H,28,29)(H,30,31)(H,32,33)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Mn2+ activated state of very late antigen 4 (VLA-4)				Bioorg Med Chem Lett 14: 2331-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.098 BindingDB Entry DOI: 10.7270/Q2FN15PM
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50144792 ((S)-2-(2,6-Dichloro-benzoylamino)-3-[2-(2,6-dichlo...) Show SMILES OC(=O)[C@H](Cc1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H15Cl4N3O3/c24-12-3-1-4-13(25)19(12)21-28-16-8-7-11(9-17(16)29-21)10-18(23(32)33)30-22(31)20-14(26)5-2-6-15(20)27/h1-9,18H,10H2,(H,28,29)(H,30,31)(H,32,33)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [Ca2+]/Mg2+ unactivated state of very late antigen 4 (VLA-4)				Bioorg Med Chem Lett 14: 2331-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.098 BindingDB Entry DOI: 10.7270/Q2FN15PM
					More data for this Ligand-Target Pair