Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50101764'   

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))	BDBM50101764 ((S)-2-(Butane-1-sulfonylamino)-3-({5-[2-(1,4,5,6-t...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(O)=O |t:22| Show InChI InChI=1S/C19H29N5O6S2/c1-2-3-11-32(29,30)24-14(18(27)28)12-22-17(26)15-7-5-13(31-15)6-8-16(25)23-19-20-9-4-10-21-19/h5,7,14,24H,2-4,6,8-12H2,1H3,(H,22,26)(H,27,28)(H2,20,21,23,25)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of fibrinogen (Fg) to alpha IIb beta3 integrin by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50101764 ((S)-2-(Butane-1-sulfonylamino)-3-({5-[2-(1,4,5,6-t...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(O)=O |t:22| Show InChI InChI=1S/C19H29N5O6S2/c1-2-3-11-32(29,30)24-14(18(27)28)12-22-17(26)15-7-5-13(31-15)6-8-16(25)23-19-20-9-4-10-21-19/h5,7,14,24H,2-4,6,8-12H2,1H3,(H,22,26)(H,27,28)(H2,20,21,23,25)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of Kistrin to Vitronectin receptor (alpha V beta 3) by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair