Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50519006'   

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))	BDBM50519006 (CHEMBL4448989) Show SMILES CN1[C@H](Cc2c[nH]c3c(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc4ccccc4)C1=O)cccc23)C(N)=O |r| Show InChI InChI=1S/C36H46N10O8/c1-46-27(32(37)51)16-22-18-41-31-21(9-5-10-23(22)31)12-13-28(47)43-24(11-6-14-40-36(38)39)33(52)42-19-29(48)44-25(17-30(49)50)34(53)45-26(35(46)54)15-20-7-3-2-4-8-20/h2-5,7-10,18,24-27,41H,6,11-17,19H2,1H3,(H2,37,51)(H,42,52)(H,43,47)(H,44,48)(H,45,53)(H,49,50)(H4,38,39,40)/t24-,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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))	BDBM50519006 (CHEMBL4448989) Show SMILES CN1[C@H](Cc2c[nH]c3c(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc4ccccc4)C1=O)cccc23)C(N)=O |r| Show InChI InChI=1S/C36H46N10O8/c1-46-27(32(37)51)16-22-18-41-31-21(9-5-10-23(22)31)12-13-28(47)43-24(11-6-14-40-36(38)39)33(52)42-19-29(48)44-25(17-30(49)50)34(53)45-26(35(46)54)15-20-7-3-2-4-8-20/h2-5,7-10,18,24-27,41H,6,11-17,19H2,1H3,(H2,37,51)(H,42,52)(H,43,47)(H,44,48)(H,45,53)(H,49,50)(H4,38,39,40)/t24-,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+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