Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125318'   

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))	BDBM50125318 ((S)-2-Methanesulfonylamino-3-[3'-(3-propyl-ureido)...) Show SMILES CCCNC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NS(C)(=O)=O)C(O)=O)cc1 Show InChI InChI=1S/C20H25N3O5S/c1-3-11-21-20(26)22-17-6-4-5-16(13-17)15-9-7-14(8-10-15)12-18(19(24)25)23-29(2,27)28/h4-10,13,18,23H,3,11-12H2,1-2H3,(H,24,25)(H2,21,22,26)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	75	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
					More data for this Ligand-Target Pair