Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4' and Ligand = 'BDBM50243759'   

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 (Homo sapiens (Human))	BDBM50243759 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES CC(C)(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:22| Show InChI InChI=1S/C28H31BrN4O3/c1-27(2,3)26-32-19-8-7-15-30-24(19)33(26)18-11-9-17(10-12-18)16-20(25(35)36)31-22-21(29)23(34)28(22)13-5-4-6-14-28/h7-12,15,20,31H,4-6,13-14,16H2,1-3H3,(H,35,36)/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
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