Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50062803'   

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))	BDBM50062803 (3-((S)-1-{2-[4-(2-Amino-ethyl)-benzoylamino]-acety...) Show SMILES COC(=O)CC[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN)cc1 Show InChI InChI=1S/C21H28N4O7/c1-32-19(29)7-6-16-21(31)24(13-18(27)28)10-11-25(16)17(26)12-23-20(30)15-4-2-14(3-5-15)8-9-22/h2-5,16H,6-13,22H2,1H3,(H,23,30)(H,27,28)/t16-/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	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.				J Med Chem 41: 489-502 (1998) Article DOI: 10.1021/jm970235u BindingDB Entry DOI: 10.7270/Q2571B4W
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50062803 (3-((S)-1-{2-[4-(2-Amino-ethyl)-benzoylamino]-acety...) Show SMILES COC(=O)CC[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN)cc1 Show InChI InChI=1S/C21H28N4O7/c1-32-19(29)7-6-16-21(31)24(13-18(27)28)10-11-25(16)17(26)12-23-20(30)15-4-2-14(3-5-15)8-9-22/h2-5,16H,6-13,22H2,1H3,(H,23,30)(H,27,28)/t16-/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of guinea pig platelets by 50% in vitro				J Med Chem 41: 489-502 (1998) Article DOI: 10.1021/jm970235u BindingDB Entry DOI: 10.7270/Q2571B4W
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50062803 (3-((S)-1-{2-[4-(2-Amino-ethyl)-benzoylamino]-acety...) Show SMILES COC(=O)CC[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN)cc1 Show InChI InChI=1S/C21H28N4O7/c1-32-19(29)7-6-16-21(31)24(13-18(27)28)10-11-25(16)17(26)12-23-20(30)15-4-2-14(3-5-15)8-9-22/h2-5,16H,6-13,22H2,1H3,(H,23,30)(H,27,28)/t16-/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of human platelets by 50% in vitro.				J Med Chem 41: 489-502 (1998) Article DOI: 10.1021/jm970235u BindingDB Entry DOI: 10.7270/Q2571B4W
					More data for this Ligand-Target Pair