Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50006348'   

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))	BDBM50006348 (6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C19H30N8O9S/c20-19(21)22-3-1-2-9-16(33)24-6-13(29)26-10(4-15(31)32)17(34)27-11(18(35)36)7-37-8-14(30)23-5-12(28)25-9/h9-11H,1-8H2,(H,23,30)(H,24,33)(H,25,28)(H,26,29)(H,27,34)(H,31,32)(H,35,36)(H4,20,21,22)/t9-,10-,11-/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	4.20	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))	BDBM50006348 (6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C19H30N8O9S/c20-19(21)22-3-1-2-9-16(33)24-6-13(29)26-10(4-15(31)32)17(34)27-11(18(35)36)7-37-8-14(30)23-5-12(28)25-9/h9-11H,1-8H2,(H,23,30)(H,24,33)(H,25,28)(H,26,29)(H,27,34)(H,31,32)(H,35,36)(H4,20,21,22)/t9-,10-,11-/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	5.00E+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