Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50145529'   

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-IIb/beta-3 (Homo sapiens (Human))	BDBM50145529 ((S)-2-Isobutoxycarbonylamino-5-oxo-5-{4-[3-(1,4,5,...) Show SMILES CC(C)COC(=O)N[C@@H](CCC(=O)N1CCN(CC1)c1cccc(NC2=NCCCN2)c1)C(O)=O |t:26| Show InChI InChI=1S/C24H36N6O5/c1-17(2)16-35-24(34)28-20(22(32)33)7-8-21(31)30-13-11-29(12-14-30)19-6-3-5-18(15-19)27-23-25-9-4-10-26-23/h3,5-6,15,17,20H,4,7-14,16H2,1-2H3,(H,28,34)(H,32,33)(H2,25,26,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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