Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50120524'   

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))	BDBM50120524 (CHEMBL421890 | [7-({3-[(Pyridin-2-ylmethyl)-amino]...) Show SMILES OC(=O)CC1CC(CNC(=O)CCNCc2ccccn2)=CCc2ccccc12 |c:21| Show InChI InChI=1S/C23H27N3O3/c27-22(10-12-24-16-20-6-3-4-11-25-20)26-15-17-8-9-18-5-1-2-7-21(18)19(13-17)14-23(28)29/h1-8,11,19,24H,9-10,12-16H2,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	842	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Displacement of fibrinogen from Human integrin alphaIIb-beta3				Bioorg Med Chem Lett 12: 3291-6 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DRB
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