Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-3/beta-3' and Ligand = 'BDBM50482409'   

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-3/beta-3 (Homo sapiens (Human))	BDBM50482409 (CHEMBL1208912) Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H25N3O6.ClH/c27-21(25-17-3-1-14-7-8-24-12-16(14)9-17)5-6-22(28)26-18(11-23(29)30)15-2-4-19-20(10-15)32-13-31-19;/h1-4,9-10,18,24H,5-8,11-13H2,(H,25,27)(H,26,28)(H,29,30);1H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation				Bioorg Med Chem Lett 20: 4444-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.051 BindingDB Entry DOI: 10.7270/Q2H134T5
					More data for this Ligand-Target Pair
Integrin alpha-3/beta-3 (Homo sapiens (Human))	BDBM50482409 (CHEMBL1208912) Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H25N3O6.ClH/c27-21(25-17-3-1-14-7-8-24-12-16(14)9-17)5-6-22(28)26-18(11-23(29)30)15-2-4-19-20(10-15)32-13-31-19;/h1-4,9-10,18,24H,5-8,11-13H2,(H,25,27)(H,26,28)(H,29,30);1H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma				Bioorg Med Chem Lett 20: 4444-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.051 BindingDB Entry DOI: 10.7270/Q2H134T5
					More data for this Ligand-Target Pair