Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50100350'   

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-IIb/beta-3 (Homo sapiens (Human))	BDBM50100350 ((S)-5-Oxo-5-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]un...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O Show InChI InChI=1S/C26H34N4O5S/c1-20-2-4-22(5-3-20)36(34,35)28-23(25(32)33)6-7-24(31)30-18-12-26(13-19-30)10-16-29(17-11-26)21-8-14-27-15-9-21/h2-5,8-9,14-15,23,28H,6-7,10-13,16-19H2,1H3,(H,32,33)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against alphaV-beta3 integrin				Bioorg Med Chem Lett 11: 1289-92 (2001) BindingDB Entry DOI: 10.7270/Q22N51KQ
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