Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50006345'   

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))	BDBM50006345 (6-Carboxymethyl-12-(3-guanidino-propyl)-15-hydroxy...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C20H32N8O10S/c21-20(22)23-3-1-2-9-16(34)24-5-13(30)25-10(4-15(32)33)17(35)28-12(19(37)38)7-39-8-14(31)26-11(6-29)18(36)27-9/h9-12,29H,1-8H2,(H,24,34)(H,25,30)(H,26,31)(H,27,36)(H,28,35)(H,32,33)(H,37,38)(H4,21,22,23)/t9-,10-,11-,12-/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	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))	BDBM50006345 (6-Carboxymethyl-12-(3-guanidino-propyl)-15-hydroxy...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C20H32N8O10S/c21-20(22)23-3-1-2-9-16(34)24-5-13(30)25-10(4-15(32)33)17(35)28-12(19(37)38)7-39-8-14(31)26-11(6-29)18(36)27-9/h9-12,29H,1-8H2,(H,24,34)(H,25,30)(H,26,31)(H,27,36)(H,28,35)(H,32,33)(H,37,38)(H4,21,22,23)/t9-,10-,11-,12-/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	480	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