Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50421438'   

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))	BDBM50421438 (CHEMBL63143) Show SMILES CC(C)(C(=O)\C=C\c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C21H27N3O4/c1-21(2,20(28)24-11-9-15(10-12-24)13-18(26)27)17(25)8-5-14-3-6-16(7-4-14)19(22)23/h3-8,15H,9-13H2,1-2H3,(H3,22,23)(H,26,27)/b8-5+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.47E+3	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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