Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50076565'   

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))	BDBM50076565 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O |c:10| Show InChI InChI=1S/C18H26N6O6S/c19-18(20)21-9-5-4-6-12-10-14(23-30-12)16(25)22-11-15(17(26)27)24-31(28,29)13-7-2-1-3-8-13/h1-3,7-8,12,15,24H,4-6,9-11H2,(H,22,25)(H,26,27)(H4,19,20,21)/t12?,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against fibrinogen receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
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