Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50421449'   

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))	BDBM50421449 (CHEMBL351620) Show SMILES CC(C)(C(OCC=C)\C=C\c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C24H33N3O4/c1-4-15-31-20(10-7-17-5-8-19(9-6-17)22(25)26)24(2,3)23(30)27-13-11-18(12-14-27)16-21(28)29/h4-10,18,20H,1,11-16H2,2-3H3,(H3,25,26)(H,28,29)/b10-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against platelet aggregation				Bioorg Med Chem Lett 10: 859-63 (2000) BindingDB Entry DOI: 10.7270/Q2W95BFN
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