Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50408870'   

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))	BDBM50408870 (CHEMBL2111217) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O Show InChI InChI=1S/C26H31N7O5S/c1-16-11-17(2)23(18(3)12-16)39(37,38)32-21(25(35)36)15-30-24(34)19-5-6-22-20(13-19)14-31-33(22)10-4-7-27-26-28-8-9-29-26/h5-6,8-9,11-14,21,32H,4,7,10,15H2,1-3H3,(H,30,34)(H,35,36)(H2,27,28,29)/t21-/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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)				J Med Chem 43: 41-58 (2000) BindingDB Entry DOI: 10.7270/Q21G0KG2
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