Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50505779'   

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))	BDBM50505779 (CHEMBL4461771) Show SMILES OC(=O)CC1CC(=O)N1 Show InChI InChI=1S/C5H7NO3/c7-4-1-3(6-4)2-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of fibronectin binding to human recombinant alphaVbeta3 expressed in HEK293 cells incubated for 1 hr by scintillation-proximity assay base...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50505779 (CHEMBL4461771) Show SMILES OC(=O)CC1CC(=O)N1 Show InChI InChI=1S/C5H7NO3/c7-4-1-3(6-4)2-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonist activity at alphaVbeta3 integrin receptor in human SK-MEL-24 cells assessed as reduction in fibronectin-induced cell adhesion pre-incubate...				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000 BindingDB Entry DOI: 10.7270/Q2FB567M
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50505779 (CHEMBL4461771) Show SMILES OC(=O)CC1CC(=O)N1 Show InChI InChI=1S/C5H7NO3/c7-4-1-3(6-4)2-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as reduction in cell adhesion to fibronectin pre-incubated for 30 mins before fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair