Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50518999'   

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))	BDBM50518999 (CHEMBL4441326) Show SMILES CN1[C@H](Cc2c[nH]c3c(cccc23)-c2cccc(c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O |r| Show InChI InChI=1S/C40H46N10O8/c1-50-31(35(41)54)18-25-20-45-34-26(12-6-13-27(25)34)23-10-5-11-24(17-23)36(55)48-28(14-7-15-44-40(42)43)37(56)46-21-32(51)47-29(19-33(52)53)38(57)49-30(39(50)58)16-22-8-3-2-4-9-22/h2-6,8-13,17,20,28-31,45H,7,14-16,18-19,21H2,1H3,(H2,41,54)(H,46,56)(H,47,51)(H,48,55)(H,49,57)(H,52,53)(H4,42,43,44)/t28-,29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	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))	BDBM50518999 (CHEMBL4441326) Show SMILES CN1[C@H](Cc2c[nH]c3c(cccc23)-c2cccc(c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O |r| Show InChI InChI=1S/C40H46N10O8/c1-50-31(35(41)54)18-25-20-45-34-26(12-6-13-27(25)34)23-10-5-11-24(17-23)36(55)48-28(14-7-15-44-40(42)43)37(56)46-21-32(51)47-29(19-33(52)53)38(57)49-30(39(50)58)16-22-8-3-2-4-9-22/h2-6,8-13,17,20,28-31,45H,7,14-16,18-19,21H2,1H3,(H2,41,54)(H,46,56)(H,47,51)(H,48,55)(H,49,57)(H,52,53)(H4,42,43,44)/t28-,29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40E+3	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