Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50378336'   

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))	BDBM50378336 (CHEMBL574136) Show SMILES NCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C35H45F3N6O9S/c36-35(37,38)26-5-1-6-27(22-26)54(48,49)44-29(34(46)47)21-24-7-9-30(28(20-24)42-32(45)23-52-19-18-51-17-16-50-15-11-39)53-14-3-13-40-31-10-8-25-4-2-12-41-33(25)43-31/h1,5-10,20,22,29,44H,2-4,11-19,21,23,39H2,(H,42,45)(H,46,47)(H2,40,41,43)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
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