Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50421429'   

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))	BDBM50421429 (CHEMBL172100) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C23H34N4O4/c1-14(2)19(26-21(30)17-7-5-16(6-8-17)20(24)25)23(3,4)22(31)27-11-9-15(10-12-27)13-18(28)29/h5-8,14-15,19H,9-13H2,1-4H3,(H3,24,25)(H,26,30)(H,28,29)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	76	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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