Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50034699'   

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))	BDBM50034699 (CHEMBL40888 | {[1-((S)-6-Amino-2-tert-butoxycarbon...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)N1CCCC(C1)C(=O)NCC(O)=O Show InChI InChI=1S/C19H34N4O6/c1-19(2,3)29-18(28)22-14(8-4-5-9-20)17(27)23-10-6-7-13(12-23)16(26)21-11-15(24)25/h13-14H,4-12,20H2,1-3H3,(H,21,26)(H,22,28)(H,24,25)/t13?,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of biotinylated fibrinogen binding to isolated alpha IIb beta3 integrin				J Med Chem 38: 1582-92 (1995) BindingDB Entry DOI: 10.7270/Q2GB233R
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