Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125286'   

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))	BDBM50125286 ((S)-3-{3'-[3-(2,2,3,3,3-Pentafluoro-propyl)-ureido...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NCC(F)(F)C(F)(F)F)c1)C(O)=O Show InChI InChI=1S/C28H28F5N3O5S/c1-16-11-17(2)24(18(3)12-16)42(40,41)36-23(25(37)38)13-19-7-9-20(10-8-19)21-5-4-6-22(14-21)35-26(39)34-15-27(29,30)28(31,32)33/h4-12,14,23,36H,13,15H2,1-3H3,(H,37,38)(H2,34,35,39)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	80	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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