Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50006334'   

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))	BDBM50006334 (18-Biphenyl-4-yl-6-carboxymethyl-12-(3-guanidino-p...) 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)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C31H38N8O9S/c32-31(33)34-12-4-7-20-27(44)35-14-24(41)38-21(13-25(42)43)28(45)39-22(30(47)48)16-49-26(29(46)36-15-23(40)37-20)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20-22,26H,4,7,12-16H2,(H,35,44)(H,36,46)(H,37,40)(H,38,41)(H,39,45)(H,42,43)(H,47,48)(H4,32,33,34)/t20-,21-,22-,26?/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	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))	BDBM50006334 (18-Biphenyl-4-yl-6-carboxymethyl-12-(3-guanidino-p...) 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)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C31H38N8O9S/c32-31(33)34-12-4-7-20-27(44)35-14-24(41)38-21(13-25(42)43)28(45)39-22(30(47)48)16-49-26(29(46)36-15-23(40)37-20)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20-22,26H,4,7,12-16H2,(H,35,44)(H,36,46)(H,37,40)(H,38,41)(H,39,45)(H,42,43)(H,47,48)(H4,32,33,34)/t20-,21-,22-,26?/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	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))	BDBM50006334 (18-Biphenyl-4-yl-6-carboxymethyl-12-(3-guanidino-p...) 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)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C31H38N8O9S/c32-31(33)34-12-4-7-20-27(44)35-14-24(41)38-21(13-25(42)43)28(45)39-22(30(47)48)16-49-26(29(46)36-15-23(40)37-20)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20-22,26H,4,7,12-16H2,(H,35,44)(H,36,46)(H,37,40)(H,38,41)(H,39,45)(H,42,43)(H,47,48)(H4,32,33,34)/t20-,21-,22-,26?/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	1.48E+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))	BDBM50006334 (18-Biphenyl-4-yl-6-carboxymethyl-12-(3-guanidino-p...) 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)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C31H38N8O9S/c32-31(33)34-12-4-7-20-27(44)35-14-24(41)38-21(13-25(42)43)28(45)39-22(30(47)48)16-49-26(29(46)36-15-23(40)37-20)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20-22,26H,4,7,12-16H2,(H,35,44)(H,36,46)(H,37,40)(H,38,41)(H,39,45)(H,42,43)(H,47,48)(H4,32,33,34)/t20-,21-,22-,26?/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	1.48E+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