Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50072503'   

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))	BDBM50072503 (CHEMBL110083 | {(S)-7-[(4,7-Dimethoxy-1H-benzoimid...) Show SMILES COc1ccc(OC)c2[nH]c(CN(C)C(=O)c3ccc4N[C@@H](CC(O)=O)C(=O)N(C)Cc4c3)nc12 Show InChI InChI=1S/C24H27N5O6/c1-28-11-14-9-13(5-6-15(14)25-16(24(28)33)10-20(30)31)23(32)29(2)12-19-26-21-17(34-3)7-8-18(35-4)22(21)27-19/h5-9,16,25H,10-12H2,1-4H3,(H,26,27)(H,30,31)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor				Bioorg Med Chem Lett 8: 3165-70 (1999) BindingDB Entry DOI: 10.7270/Q2NG4PSF
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