Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50083795'   

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))	BDBM50083795 (2-Benzyloxycarbonylamino-3-({1-[4-(4,5-dihydro-1H-...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCCNC3=NCCN3)ncc2c1)NC(=O)OCc1ccccc1 |t:18| Show InChI InChI=1S/C26H31N7O5/c34-23(30-16-21(24(35)36)32-26(37)38-17-18-6-2-1-3-7-18)19-8-9-22-20(14-19)15-31-33(22)13-5-4-10-27-25-28-11-12-29-25/h1-3,6-9,14-15,21H,4-5,10-13,16-17H2,(H,30,34)(H,32,37)(H,35,36)(H2,27,28,29)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of Vitronectin receptor (alpha V beta 3) binding				J Med Chem 43: 41-58 (2000) BindingDB Entry DOI: 10.7270/Q21G0KG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083795 (2-Benzyloxycarbonylamino-3-({1-[4-(4,5-dihydro-1H-...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCCNC3=NCCN3)ncc2c1)NC(=O)OCc1ccccc1 |t:18| Show InChI InChI=1S/C26H31N7O5/c34-23(30-16-21(24(35)36)32-26(37)38-17-18-6-2-1-3-7-18)19-8-9-22-20(14-19)15-31-33(22)13-5-4-10-27-25-28-11-12-29-25/h1-3,6-9,14-15,21H,4-5,10-13,16-17H2,(H,30,34)(H,32,37)(H,35,36)(H2,27,28,29)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbitory activity against beta3-transfected 293 cells using alphaV-beta3 antagonism assay				J Med Chem 43: 41-58 (2000) BindingDB Entry DOI: 10.7270/Q21G0KG2
					More data for this Ligand-Target Pair