Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50421457'   

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))	BDBM50421457 (CHEMBL169984) Show SMILES CC(C)([C@H](NC(=O)c1ccc(cc1)C(N)=N)c1ccccc1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H32N4O4/c1-26(2,25(34)30-14-12-17(13-15-30)16-21(31)32)22(18-6-4-3-5-7-18)29-24(33)20-10-8-19(9-11-20)23(27)28/h3-11,17,22H,12-16H2,1-2H3,(H3,27,28)(H,29,33)(H,31,32)/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	115	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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