Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50078700'   

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))	BDBM50078700 (CHEMBL417014 | [(S)-4-Methyl-3-oxo-7-(4-pyridin-2-...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H25N5O4/c1-25-14-16-12-15(5-6-17(16)24-18(22(25)31)13-20(28)29)21(30)27-10-8-26(9-11-27)19-4-2-3-7-23-19/h2-7,12,18,24H,8-11,13-14H2,1H3,(H,28,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
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