Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125296'   

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))	BDBM50125296 ((S)-2-(2,2-Dimethyl-propoxycarbonylamino)-3-[3'-(3...) Show SMILES CCCNC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NC(=O)OCC(C)(C)C)C(O)=O)cc1 Show InChI InChI=1S/C25H33N3O5/c1-5-13-26-23(31)27-20-8-6-7-19(15-20)18-11-9-17(10-12-18)14-21(22(29)30)28-24(32)33-16-25(2,3)4/h6-12,15,21H,5,13-14,16H2,1-4H3,(H,28,32)(H,29,30)(H2,26,27,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Binding affinity towards vitronectin receptor (alpha V-beta3) was determined				Bioorg Med Chem Lett 13: 1071-4 (2003) BindingDB Entry DOI: 10.7270/Q2S46T44
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