Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50145526'   

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))	BDBM50145526 ((S)-2-Benzyloxycarbonylamino-5-{4-[3-(5-hydroxy-1,...) Show SMILES OC1CNC(Nc2cccc(c2)N2CCN(CC2)C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(O)=O)=NC1 |c:39| Show InChI InChI=1S/C27H34N6O6/c34-22-16-28-26(29-17-22)30-20-7-4-8-21(15-20)32-11-13-33(14-12-32)24(35)10-9-23(25(36)37)31-27(38)39-18-19-5-2-1-3-6-19/h1-8,15,22-23,34H,9-14,16-18H2,(H,31,38)(H,36,37)(H2,28,29,30)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	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