Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50408869'   

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))	BDBM50408869 (CHEMBL2111850) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)C(O)=O |t:19| Show InChI InChI=1S/C23H32N6O6S/c1-14-10-15(2)20(16(3)11-14)36(33,34)29-19(22(31)32)13-27-21(30)18-12-17(35-28-18)6-4-5-7-24-23-25-8-9-26-23/h8-11,17,19,29H,4-7,12-13H2,1-3H3,(H,27,30)(H,31,32)(H2,24,25,26)/t17?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
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