Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50006274'   

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))	BDBM50006274 (6-Carboxymethyl-12-(3-guanidino-propyl)-18-naphtha...) 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)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H36N8O9S/c30-29(31)32-9-3-6-18-25(42)33-12-22(39)36-19(11-23(40)41)26(43)37-20(28(45)46)14-47-24(27(44)34-13-21(38)35-18)17-8-7-15-4-1-2-5-16(15)10-17/h1-2,4-5,7-8,10,18-20,24H,3,6,9,11-14H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t18-,19-,20-,24?/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	11.5	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))	BDBM50006274 (6-Carboxymethyl-12-(3-guanidino-propyl)-18-naphtha...) 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)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H36N8O9S/c30-29(31)32-9-3-6-18-25(42)33-12-22(39)36-19(11-23(40)41)26(43)37-20(28(45)46)14-47-24(27(44)34-13-21(38)35-18)17-8-7-15-4-1-2-5-16(15)10-17/h1-2,4-5,7-8,10,18-20,24H,3,6,9,11-14H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t18-,19-,20-,24?/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	12	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))	BDBM50006274 (6-Carboxymethyl-12-(3-guanidino-propyl)-18-naphtha...) 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)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H36N8O9S/c30-29(31)32-9-3-6-18-25(42)33-12-22(39)36-19(11-23(40)41)26(43)37-20(28(45)46)14-47-24(27(44)34-13-21(38)35-18)17-8-7-15-4-1-2-5-16(15)10-17/h1-2,4-5,7-8,10,18-20,24H,3,6,9,11-14H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t18-,19-,20-,24?/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	4.00E+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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006274 (6-Carboxymethyl-12-(3-guanidino-propyl)-18-naphtha...) 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)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H36N8O9S/c30-29(31)32-9-3-6-18-25(42)33-12-22(39)36-19(11-23(40)41)26(43)37-20(28(45)46)14-47-24(27(44)34-13-21(38)35-18)17-8-7-15-4-1-2-5-16(15)10-17/h1-2,4-5,7-8,10,18-20,24H,3,6,9,11-14H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t18-,19-,20-,24?/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	4.00E+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