Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50039574'   

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))	BDBM50039574 ((S)-2-Acetylamino-3-[4-(6-amino-hexyloxy)-phenyl]-...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(O)=O Show InChI InChI=1S/C17H26N2O4/c1-13(20)19-16(17(21)22)12-14-6-8-15(9-7-14)23-11-5-3-2-4-10-18/h6-9,16H,2-5,10-12,18H2,1H3,(H,19,20)(H,21,22)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
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