Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50421480'   

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))	BDBM50421480 (CHEMBL354325) Show SMILES CC(C)([C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C28H36N4O4/c1-28(2,27(36)32-16-14-20(15-17-32)18-24(33)34)23(13-8-19-6-4-3-5-7-19)31-26(35)22-11-9-21(10-12-22)25(29)30/h3-7,9-12,20,23H,8,13-18H2,1-2H3,(H3,29,30)(H,31,35)(H,33,34)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against platelet aggregation				Bioorg Med Chem Lett 10: 859-63 (2000) BindingDB Entry DOI: 10.7270/Q2W95BFN
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