Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125299'   

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))	BDBM50125299 ((S)-2-Cyclopentyloxycarbonylamino-3-[3'-(3-propyl-...) Show SMILES CCCNC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NC(=O)OC2CCCC2)C(O)=O)cc1 Show InChI InChI=1S/C25H31N3O5/c1-2-14-26-24(31)27-20-7-5-6-19(16-20)18-12-10-17(11-13-18)15-22(23(29)30)28-25(32)33-21-8-3-4-9-21/h5-7,10-13,16,21-22H,2-4,8-9,14-15H2,1H3,(H,28,32)(H,29,30)(H2,26,27,31)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	210	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