Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50039568'   

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))	BDBM50039568 ((S)-3-(Butane-1-sulfonylamino)-4-[4-(3-piperidin-4...) Show SMILES CCCCS(=O)(=O)N[C@H](CC(O)=O)Cc1ccc(OCCCC2CCNCC2)cc1 Show InChI InChI=1S/C22H36N2O5S/c1-2-3-15-30(27,28)24-20(17-22(25)26)16-19-6-8-21(9-7-19)29-14-4-5-18-10-12-23-13-11-18/h6-9,18,20,23-24H,2-5,10-17H2,1H3,(H,25,26)/t20-/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	600	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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