Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-7' and Ligand = 'BDBM50116157'   

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/beta-7 (Homo sapiens (Human))	BDBM50116157 ((S)-2-{[1-(5-Bromo-pyridin-3-yl)-cyclopentanecarbo...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2cncc(Br)c2)C(O)=O)cc1 Show InChI InChI=1S/C27H27BrN2O4/c1-34-24-7-3-2-6-22(24)19-10-8-18(9-11-19)14-23(25(31)32)30-26(33)27(12-4-5-13-27)20-15-21(28)17-29-16-20/h2-3,6-11,15-17,23H,4-5,12-14H2,1H3,(H,30,33)(H,31,32)/t23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells				Bioorg Med Chem Lett 12: 2141-4 (2002) BindingDB Entry DOI: 10.7270/Q2J965QF
					More data for this Ligand-Target Pair