Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM50185451'   

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-V/beta-6 (Homo sapiens (Human))	BDBM50185451 (3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(6-(methylami...) Show SMILES CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)on2)n1 Show InChI InChI=1S/C22H23N3O6/c1-23-20-4-2-3-16(24-20)7-8-28-21-12-17(31-25-21)9-15(11-22(26)27)14-5-6-18-19(10-14)30-13-29-18/h2-6,10,12,15H,7-9,11,13H2,1H3,(H,23,24)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of alphavbeta6 integrin in HT29 cells				Bioorg Med Chem Lett 16: 3156-61 (2006) Article DOI: 10.1016/j.bmcl.2006.03.045 BindingDB Entry DOI: 10.7270/Q29023CB
					More data for this Ligand-Target Pair