Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-7' and Ligand = 'BDBM50090105'   

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))	BDBM50090105 ((S)-2-(2-Hydroxy-5-nitro-benzylamino)-3-phenyl-pro...) Show SMILES CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NCc1cc(ccc1O)[N+]([O-])=O Show InChI InChI=1S/C20H24N2O5/c1-20(2,3)27-19(24)17(11-14-7-5-4-6-8-14)21-13-15-12-16(22(25)26)9-10-18(15)23/h4-10,12,17,21,23H,11,13H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceutical Curated by ChEMBL					Assay Description Inhibition of alpha-4 beta7/MAdCAM mediated cell adhesion was evaluated using B-cell lymphoma RPMI 8866 cells				Bioorg Med Chem Lett 10: 1497-9 (2000) BindingDB Entry DOI: 10.7270/Q2DN4493
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