Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4' and Ligand = 'BDBM50243752'   

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))	BDBM50243752 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:28| Show InChI InChI=1S/C25H22BrF3N4O3/c26-18-19(24(20(18)34)10-2-1-3-11-24)31-17(22(35)36)13-14-6-8-15(9-7-14)33-21-16(5-4-12-30-21)32-23(33)25(27,28)29/h4-9,12,17,31H,1-3,10-11,13H2,(H,35,36)/t17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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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