Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-7' and Ligand = 'BDBM16828'   

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-7 (Homo sapiens (Human))	BDBM16828 ((2S)-2-{[(benzyloxy)carbonyl]amino}-3-[4-(5-methox...) Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C23H23N3O6/c1-26-21(27)20(19(31-2)13-24-26)17-10-8-15(9-11-17)12-18(22(28)29)25-23(30)32-14-16-6-4-3-5-7-16/h3-11,13,18H,12,14H2,1-2H3,(H,25,30)(H,28,29)/t18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	4
Johnson & Johnson Pharmaceutical					Assay Description M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...				J Med Chem 49: 3402-11 (2006) Article DOI: 10.1021/jm060031q BindingDB Entry DOI: 10.7270/Q2Z60M9V
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