Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50145521'   

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))	BDBM50145521 ((S)-2-(3-Benzyl-ureido)-5-oxo-5-{4-[3-(1,4,5,6-tet...) Show SMILES OC(=O)[C@H](CCC(=O)N1CCN(CC1)c1cccc(NC2=NCCCN2)c1)NC(=O)NCc1ccccc1 |t:21| Show InChI InChI=1S/C27H35N7O4/c35-24(11-10-23(25(36)37)32-27(38)30-19-20-6-2-1-3-7-20)34-16-14-33(15-17-34)22-9-4-8-21(18-22)31-26-28-12-5-13-29-26/h1-4,6-9,18,23H,5,10-17,19H2,(H,36,37)(H2,28,29,31)(H2,30,32,38)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity was determined against human vitronectin receptor (alpha V beta 3)				Bioorg Med Chem Lett 14: 2567-70 (2004) Article DOI: 10.1016/j.bmcl.2004.02.075 BindingDB Entry DOI: 10.7270/Q2445KWT
					More data for this Ligand-Target Pair