Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50518995'   

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))	BDBM50518995 (CHEMBL4468811) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)c2cccc(c2)-c2cccc3c(C[C@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O)c[nH]c23 |r| Show InChI InChI=1S/C39H44N10O8/c40-34(53)28-17-24-19-44-33-25(11-5-12-26(24)33)22-9-4-10-23(16-22)35(54)47-27(13-6-14-43-39(41)42)36(55)45-20-31(50)46-30(18-32(51)52)38(57)49-29(37(56)48-28)15-21-7-2-1-3-8-21/h1-5,7-12,16,19,27-30,44H,6,13-15,17-18,20H2,(H2,40,53)(H,45,55)(H,46,50)(H,47,54)(H,48,56)(H,49,57)(H,51,52)(H4,41,42,43)/t27-,28-,29+,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50518995 (CHEMBL4468811) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)c2cccc(c2)-c2cccc3c(C[C@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O)c[nH]c23 |r| Show InChI InChI=1S/C39H44N10O8/c40-34(53)28-17-24-19-44-33-25(11-5-12-26(24)33)22-9-4-10-23(16-22)35(54)47-27(13-6-14-43-39(41)42)36(55)45-20-31(50)46-30(18-32(51)52)38(57)49-29(37(56)48-28)15-21-7-2-1-3-8-21/h1-5,7-12,16,19,27-30,44H,6,13-15,17-18,20H2,(H2,40,53)(H,45,55)(H,46,50)(H,47,54)(H,48,56)(H,49,57)(H,51,52)(H4,41,42,43)/t27-,28-,29+,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Binding affinity to integrin alphavbeta3 receptor in human WM115 cells assessed as inhibition of cell adhesion to vitronectin after 0.5 hr by fluores...				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair