Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50145525'   

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))	BDBM50145525 (2-Benzyloxycarbonylamino-5-{4-[3-(4,5-dihydro-1H-i...) Show SMILES OC(=O)[C@H](CCC(=O)N1CCN(CC1)c1cccc(NC2=NCCN2)c1)NC(=O)OCc1ccccc1 |t:21| Show InChI InChI=1S/C26H32N6O5/c33-23(10-9-22(24(34)35)30-26(36)37-18-19-5-2-1-3-6-19)32-15-13-31(14-16-32)21-8-4-7-20(17-21)29-25-27-11-12-28-25/h1-8,17,22H,9-16,18H2,(H,30,36)(H,34,35)(H2,27,28,29)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of binding to human alphaV-beta3 integrin				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