Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50378322'   

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))	BDBM50378322 (CHEMBL566784) Show SMILES [#7]-c1cc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)ccc1-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1 |r| Show InChI InChI=1S/C23H28F3N5O5S/c24-23(25,26)16-4-1-5-17(14-16)37(34,35)31-19(21(32)33)13-15-6-7-20(18(27)12-15)36-11-3-10-30-22-28-8-2-9-29-22/h1,4-7,12,14,19,31H,2-3,8-11,13,27H2,(H,32,33)(H2,28,29,30)/t19-/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	21.3	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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