Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50065165'   

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))	BDBM50065165 ((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(6-guanidino-hexa...) Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)CCCCCNC(N)=N Show InChI InChI=1S/C20H36N6O7/c1-4-26(15(28)8-6-5-7-9-23-20(21)22)11-14(27)24-13(10-16(29)30)18(31)25-17(12(2)3)19(32)33/h12-13,17H,4-11H2,1-3H3,(H,24,27)(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23)/t13-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Central Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit the aggregation of fixed human platelets				J Med Chem 41: 2492-502 (1998) Article DOI: 10.1021/jm9801096 BindingDB Entry DOI: 10.7270/Q2057F28
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