Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4' and Ligand = 'BDBM50243750'   

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))	BDBM50243750 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES CN(C)c1ccnc(c1)-c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:28| Show InChI InChI=1S/C31H31BrN6O3/c1-37(2)21-12-16-33-23(18-21)29-36-22-7-6-15-34-28(22)38(29)20-10-8-19(9-11-20)17-24(30(40)41)35-26-25(32)27(39)31(26)13-4-3-5-14-31/h6-12,15-16,18,24,35H,3-5,13-14,17H2,1-2H3,(H,40,41)/t24-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	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
					More data for this Ligand-Target Pair