Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50078441'   

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))	BDBM50078441 ((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[3,2-b]th...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)NS(=O)(=O)c1cccnc1 Show InChI InChI=1S/C22H26N4O5S3/c27-21(25-13-17(22(28)29)26-34(30,31)16-2-1-7-24-12-16)20-11-19-18(33-20)10-15(32-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,17,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t17-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078441 ((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[3,2-b]th...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)NS(=O)(=O)c1cccnc1 Show InChI InChI=1S/C22H26N4O5S3/c27-21(25-13-17(22(28)29)26-34(30,31)16-2-1-7-24-12-16)20-11-19-18(33-20)10-15(32-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,17,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t17-/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	n/a	0.0800	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair