Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50078698'   

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))	BDBM50078698 (CHEMBL296615 | {(S)-4-Methyl-7-[methyl-(6-methylam...) Show SMILES CNc1cccc(CN(C)C(=O)c2ccc3N[C@@H](CC(O)=O)C(=O)N(C)Cc3c2)n1 Show InChI InChI=1S/C21H25N5O4/c1-22-18-6-4-5-15(23-18)12-26(3)20(29)13-7-8-16-14(9-13)11-25(2)21(30)17(24-16)10-19(27)28/h4-9,17,24H,10-12H2,1-3H3,(H,22,23)(H,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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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