Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50421458'   

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))	BDBM50421458 (CHEMBL353150) Show SMILES CC(C)([C@H](NC(=O)c1ccc(cc1)C(N)=N)c1ccc(Cl)cc1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-13-11-16(12-14-31)15-21(32)33)22(17-7-9-20(27)10-8-17)30-24(34)19-5-3-18(4-6-19)23(28)29/h3-10,16,22H,11-15H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33)/t22-/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	331	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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