Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50006289'   

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))	BDBM50006289 (6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H33F3N8O9S/c27-26(28,29)13-5-2-1-4-12(13)20-23(44)34-10-17(38)35-14(6-3-7-32-25(30)31)21(42)33-9-18(39)36-15(8-19(40)41)22(43)37-16(11-47-20)24(45)46/h1-2,4-5,14-16,20H,3,6-11H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t14-,15-,16-,20?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006289 (6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H33F3N8O9S/c27-26(28,29)13-5-2-1-4-12(13)20-23(44)34-10-17(38)35-14(6-3-7-32-25(30)31)21(42)33-9-18(39)36-15(8-19(40)41)22(43)37-16(11-47-20)24(45)46/h1-2,4-5,14-16,20H,3,6-11H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t14-,15-,16-,20?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006289 (6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H33F3N8O9S/c27-26(28,29)13-5-2-1-4-12(13)20-23(44)34-10-17(38)35-14(6-3-7-32-25(30)31)21(42)33-9-18(39)36-15(8-19(40)41)22(43)37-16(11-47-20)24(45)46/h1-2,4-5,14-16,20H,3,6-11H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t14-,15-,16-,20?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair