Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50083793'   

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))	BDBM50083793 (2-Benzyloxycarbonylamino-3-({2-[3-(4,5-dihydro-1H-...) Show SMILES OC(=O)[C@@H](CNC(=O)c1ccc2cn(CCCNC3=NCCN3)nc2c1)NC(=O)OCc1ccccc1 |t:18| Show InChI InChI=1S/C25H29N7O5/c33-22(29-14-21(23(34)35)30-25(36)37-16-17-5-2-1-3-6-17)18-7-8-19-15-32(31-20(19)13-18)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,13,15,21H,4,9-12,14,16H2,(H,29,33)(H,30,36)(H,34,35)(H2,26,27,28)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	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))	BDBM50083793 (2-Benzyloxycarbonylamino-3-({2-[3-(4,5-dihydro-1H-...) Show SMILES OC(=O)[C@@H](CNC(=O)c1ccc2cn(CCCNC3=NCCN3)nc2c1)NC(=O)OCc1ccccc1 |t:18| Show InChI InChI=1S/C25H29N7O5/c33-22(29-14-21(23(34)35)30-25(36)37-16-17-5-2-1-3-6-17)18-7-8-19-15-32(31-20(19)13-18)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,13,15,21H,4,9-12,14,16H2,(H,29,33)(H,30,36)(H,34,35)(H2,26,27,28)/t21-/m1/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