Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-7' and Ligand = 'BDBM16827'   

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))	BDBM16827 ((2S)-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydropyr...) Show SMILES COC(=O)N[C@@H](Cc1ccc(cc1)-c1c(OC)cnn(C)c1=O)C(O)=O |r| Show InChI InChI=1S/C17H19N3O6/c1-20-15(21)14(13(25-2)9-18-20)11-6-4-10(5-7-11)8-12(16(22)23)19-17(24)26-3/h4-7,9,12H,8H2,1-3H3,(H,19,24)(H,22,23)/t12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	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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