Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50062789'   

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))	BDBM50062789 (((S)-4-{2-[4-(2-Amino-ethyl)-benzoylamino]-acetyl}...) Show SMILES COC(=O)C[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN)cc1 Show InChI InChI=1S/C20H26N4O7/c1-31-18(28)10-15-20(30)23(12-17(26)27)8-9-24(15)16(25)11-22-19(29)14-4-2-13(3-5-14)6-7-21/h2-5,15H,6-12,21H2,1H3,(H,22,29)(H,26,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.910	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))	BDBM50062789 (((S)-4-{2-[4-(2-Amino-ethyl)-benzoylamino]-acetyl}...) Show SMILES COC(=O)C[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN)cc1 Show InChI InChI=1S/C20H26N4O7/c1-31-18(28)10-15-20(30)23(12-17(26)27)8-9-24(15)16(25)11-22-19(29)14-4-2-13(3-5-14)6-7-21/h2-5,15H,6-12,21H2,1H3,(H,22,29)(H,26,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50062789 (((S)-4-{2-[4-(2-Amino-ethyl)-benzoylamino]-acetyl}...) Show SMILES COC(=O)C[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN)cc1 Show InChI InChI=1S/C20H26N4O7/c1-31-18(28)10-15-20(30)23(12-17(26)27)8-9-24(15)16(25)11-22-19(29)14-4-2-13(3-5-14)6-7-21/h2-5,15H,6-12,21H2,1H3,(H,22,29)(H,26,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	93	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