Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50153563'   

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-IIb/beta-3 (Homo sapiens (Human))	BDBM50153563 (3-Benzo[1,3]dioxol-5-yl-4-[1-(4-5,6,7,8-tetrahydro...) Show SMILES OC(=O)CC(CC1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H35N3O5/c32-26(5-1-4-23-8-6-20-3-2-12-29-28(20)30-23)31-13-10-19(11-14-31)15-22(17-27(33)34)21-7-9-24-25(16-21)36-18-35-24/h6-9,16,19,22H,1-5,10-15,17-18H2,(H,29,30)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human Biotinylated Fg binding to immobilized Alpha II beta-3				Bioorg Med Chem Lett 14: 5227-32 (2004) Article DOI: 10.1016/j.bmcl.2004.06.061 BindingDB Entry DOI: 10.7270/Q2TH8M5Z
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