Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50006267'   

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))	BDBM50006267 (6,15-Bis-carboxymethyl-12-(3-guanidino-propyl)-1,5...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C21H32N8O12S/c22-21(23)24-3-1-2-9-17(36)25-6-13(30)26-10(4-15(32)33)19(38)29-12(20(39)40)7-42(41)8-14(31)27-11(5-16(34)35)18(37)28-9/h9-12H,1-8H2,(H,25,36)(H,26,30)(H,27,31)(H,28,37)(H,29,38)(H,32,33)(H,34,35)(H,39,40)(H4,22,23,24)/t9-,10-,11-,12-,42?/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	6	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))	BDBM50006267 (6,15-Bis-carboxymethyl-12-(3-guanidino-propyl)-1,5...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C21H32N8O12S/c22-21(23)24-3-1-2-9-17(36)25-6-13(30)26-10(4-15(32)33)19(38)29-12(20(39)40)7-42(41)8-14(31)27-11(5-16(34)35)18(37)28-9/h9-12H,1-8H2,(H,25,36)(H,26,30)(H,27,31)(H,28,37)(H,29,38)(H,32,33)(H,34,35)(H,39,40)(H4,22,23,24)/t9-,10-,11-,12-,42?/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	2.14E+3	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006267 (6,15-Bis-carboxymethyl-12-(3-guanidino-propyl)-1,5...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C21H32N8O12S/c22-21(23)24-3-1-2-9-17(36)25-6-13(30)26-10(4-15(32)33)19(38)29-12(20(39)40)7-42(41)8-14(31)27-11(5-16(34)35)18(37)28-9/h9-12H,1-8H2,(H,25,36)(H,26,30)(H,27,31)(H,28,37)(H,29,38)(H,32,33)(H,34,35)(H,39,40)(H4,22,23,24)/t9-,10-,11-,12-,42?/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	2.14E+3	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