Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4' and Ligand = 'BDBM50243758'   

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))	BDBM50243758 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1ccc(Cl)nc1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C29H25BrClN5O3/c30-23-24(29(25(23)37)12-2-1-3-13-29)34-21(28(38)39)15-17-6-9-19(10-7-17)36-26(18-8-11-22(31)33-16-18)35-20-5-4-14-32-27(20)36/h4-11,14,16,21,34H,1-3,12-13,15H2,(H,38,39)/t21-/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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