Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50006294'   

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))	BDBM50006294 (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)c1ccccc1 Show InChI InChI=1S/C25H34N8O9S/c26-25(27)28-8-4-7-14-21(38)29-10-18(35)32-15(9-19(36)37)22(39)33-16(24(41)42)12-43-20(13-5-2-1-3-6-13)23(40)30-11-17(34)31-14/h1-3,5-6,14-16,20H,4,7-12H2,(H,29,38)(H,30,40)(H,31,34)(H,32,35)(H,33,39)(H,36,37)(H,41,42)(H4,26,27,28)/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	0.5	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))	BDBM50006294 (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)c1ccccc1 Show InChI InChI=1S/C25H34N8O9S/c26-25(27)28-8-4-7-14-21(38)29-10-18(35)32-15(9-19(36)37)22(39)33-16(24(41)42)12-43-20(13-5-2-1-3-6-13)23(40)30-11-17(34)31-14/h1-3,5-6,14-16,20H,4,7-12H2,(H,29,38)(H,30,40)(H,31,34)(H,32,35)(H,33,39)(H,36,37)(H,41,42)(H4,26,27,28)/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	0.5	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))	BDBM50006294 (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)c1ccccc1 Show InChI InChI=1S/C25H34N8O9S/c26-25(27)28-8-4-7-14-21(38)29-10-18(35)32-15(9-19(36)37)22(39)33-16(24(41)42)12-43-20(13-5-2-1-3-6-13)23(40)30-11-17(34)31-14/h1-3,5-6,14-16,20H,4,7-12H2,(H,29,38)(H,30,40)(H,31,34)(H,32,35)(H,33,39)(H,36,37)(H,41,42)(H4,26,27,28)/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	170	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))	BDBM50006294 (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)c1ccccc1 Show InChI InChI=1S/C25H34N8O9S/c26-25(27)28-8-4-7-14-21(38)29-10-18(35)32-15(9-19(36)37)22(39)33-16(24(41)42)12-43-20(13-5-2-1-3-6-13)23(40)30-11-17(34)31-14/h1-3,5-6,14-16,20H,4,7-12H2,(H,29,38)(H,30,40)(H,31,34)(H,32,35)(H,33,39)(H,36,37)(H,41,42)(H4,26,27,28)/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	>2.00E+4	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