Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50054478'   

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))	BDBM50054478 (CHEMBL343123 | [(2S,5R,11S,14S)-11-Carboxymethyl-5...) Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O Show InChI InChI=1S/C24H40N12O10/c25-23(26)29-5-1-3-11-19(43)31-9-15(37)34-14(8-18(41)42)22(46)36-12(4-2-6-30-24(27)28)20(44)32-10-16(38)33-13(7-17(39)40)21(45)35-11/h11-14H,1-10H2,(H,31,43)(H,32,44)(H,33,38)(H,34,37)(H,35,45)(H,36,46)(H,39,40)(H,41,42)(H4,25,26,29)(H4,27,28,30)/t11-,12+,13-,14-/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Texas A& M University Curated by ChEMBL					Assay Description Inhibition of human platelet aggregation mediated by alpha llb/beta3 interaction with fibrinogen				J Med Chem 39: 4520-6 (1996) Article DOI: 10.1021/jm960276a BindingDB Entry DOI: 10.7270/Q2X06885
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