Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4' and Ligand = 'BDBM50243751'   

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))	BDBM50243751 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1ccccc1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C30H27BrN4O3/c31-24-25(30(26(24)36)15-5-2-6-16-30)33-23(29(37)38)18-19-11-13-21(14-12-19)35-27(20-8-3-1-4-9-20)34-22-10-7-17-32-28(22)35/h1,3-4,7-14,17,23,33H,2,5-6,15-16,18H2,(H,37,38)/t23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	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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