Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50078704'   

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-V/beta-3 (Homo sapiens (Human))	BDBM50078704 (((S)-4-Methyl-7-{methyl-[2-(pyridin-2-ylamino)-eth...) Show SMILES CN(CCNc1ccccn1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C21H25N5O4/c1-25(10-9-23-18-5-3-4-8-22-18)20(29)14-6-7-16-15(11-14)13-26(2)21(30)17(24-16)12-19(27)28/h3-8,11,17,24H,9-10,12-13H2,1-2H3,(H,22,23)(H,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	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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