Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125315'   

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))	BDBM50125315 ((S)-2-Isobutoxycarbonylamino-3-[3'-(3-propyl-ureid...) Show SMILES CCCNC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NC(=O)OCC(C)C)C(O)=O)cc1 Show InChI InChI=1S/C24H31N3O5/c1-4-12-25-23(30)26-20-7-5-6-19(14-20)18-10-8-17(9-11-18)13-21(22(28)29)27-24(31)32-15-16(2)3/h5-11,14,16,21H,4,12-13,15H2,1-3H3,(H,27,31)(H,28,29)(H2,25,26,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	900	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