Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50139223'   

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))	BDBM50139223 (3-[3-(2-Methylamino-acetylamino)-phenylsulfanyl]-3...) Show SMILES CNCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1 Show InChI InChI=1S/C17H19N3O3S/c1-18-11-16(21)20-13-5-2-6-14(8-13)24-15(9-17(22)23)12-4-3-7-19-10-12/h2-8,10,15,18H,9,11H2,1H3,(H,20,21)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Curated by ChEMBL					Assay Description Inhibitory activity against alpha IIb beta3 integrin				Bioorg Med Chem Lett 14: 657-61 (2004) BindingDB Entry DOI: 10.7270/Q2RV0N4Q
					More data for this Ligand-Target Pair