Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50519012'   

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))	BDBM50519012 (CHEMBL4444874) Show SMILES CN1[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C1=O)C(N)=O |r| Show InChI InChI=1S/C31H37N9O7/c1-40-23(27(32)44)12-18-14-36-26-19(4-2-5-20(18)26)16-7-9-17(10-8-16)28(45)39-21(6-3-11-35-31(33)34)29(46)37-15-24(41)38-22(30(40)47)13-25(42)43/h2,4-5,7-10,14,21-23,36H,3,6,11-13,15H2,1H3,(H2,32,44)(H,37,46)(H,38,41)(H,39,45)(H,42,43)(H4,33,34,35)/t21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	239	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))	BDBM50519012 (CHEMBL4444874) Show SMILES CN1[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C1=O)C(N)=O |r| Show InChI InChI=1S/C31H37N9O7/c1-40-23(27(32)44)12-18-14-36-26-19(4-2-5-20(18)26)16-7-9-17(10-8-16)28(45)39-21(6-3-11-35-31(33)34)29(46)37-15-24(41)38-22(30(40)47)13-25(42)43/h2,4-5,7-10,14,21-23,36H,3,6,11-13,15H2,1H3,(H2,32,44)(H,37,46)(H,38,41)(H,39,45)(H,42,43)(H4,33,34,35)/t21-,22-,23-/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