Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50327749'   

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))	BDBM50327749 ((S)-3-[2-(4-Guanidinomethyl[1,2,3]triazol-1-yl)ace...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-21(20-19-10)8-11(22)18-12(13(23)24)9-4-2-1-3-5-9/h1-5,7,12H,6,8H2,(H,18,22)(H,23,24)(H4,15,16,17)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3				J Med Chem 53: 7119-28 (2010) Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF
					More data for this Ligand-Target Pair