Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50039588'   

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))	BDBM50039588 ((S)-2-Benzyloxycarbonylamino-3-[4-(4-piperazin-1-y...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCN2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H33N3O5/c29-24(30)23(27-25(31)33-19-21-6-2-1-3-7-21)18-20-8-10-22(11-9-20)32-17-5-4-14-28-15-12-26-13-16-28/h1-3,6-11,23,26H,4-5,12-19H2,(H,27,31)(H,29,30)/t23-/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	500	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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