Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50153557'   

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))	BDBM50153557 (3-Benzo[1,3]dioxol-5-yl-5-[1-(3-5,6,7,8-tetrahydro...) Show SMILES OC(=O)CC(CCC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H35N3O5/c32-26(10-8-23-7-5-20-2-1-13-29-28(20)30-23)31-14-11-19(12-15-31)3-4-22(17-27(33)34)21-6-9-24-25(16-21)36-18-35-24/h5-7,9,16,19,22H,1-4,8,10-15,17-18H2,(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	4.36E+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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