Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50100361'   

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))	BDBM50100361 (5-[9-([4,4']Bipiperidinyl-1-carbonyl)-3-aza-spiro[...) Show SMILES OC(=O)CCCC(=O)N1CCC2(CCC(CC2)C(=O)N2CCC(CC2)C2CCNCC2)CC1 Show InChI InChI=1S/C26H43N3O4/c30-23(2-1-3-24(31)32)28-18-12-26(13-19-28)10-4-22(5-11-26)25(33)29-16-8-21(9-17-29)20-6-14-27-15-7-20/h20-22,27H,1-19H2,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc Curated by ChEMBL					Assay Description In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa				Bioorg Med Chem Lett 11: 1293-6 (2001) BindingDB Entry DOI: 10.7270/Q2Z037DQ
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