Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50073817'   

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))	BDBM50073817 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCC |c:14| Show InChI InChI=1S/C19H28N5O7P/c1-3-29-32(28,30-4-2)24-16(19(26)27)11-22-17(25)10-14-9-15(23-31-14)12-5-7-13(8-6-12)18(20)21/h5-8,14,16H,3-4,9-11H2,1-2H3,(H3,20,21)(H,22,25)(H,24,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073817 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCC |c:14| Show InChI InChI=1S/C19H28N5O7P/c1-3-29-32(28,30-4-2)24-16(19(26)27)11-22-17(25)10-14-9-15(23-31-14)12-5-7-13(8-6-12)18(20)21/h5-8,14,16H,3-4,9-11H2,1-2H3,(H3,20,21)(H,22,25)(H,24,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073817 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCC |c:14| Show InChI InChI=1S/C19H28N5O7P/c1-3-29-32(28,30-4-2)24-16(19(26)27)11-22-17(25)10-14-9-15(23-31-14)12-5-7-13(8-6-12)18(20)21/h5-8,14,16H,3-4,9-11H2,1-2H3,(H3,20,21)(H,22,25)(H,24,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073817 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCC |c:14| Show InChI InChI=1S/C19H28N5O7P/c1-3-29-32(28,30-4-2)24-16(19(26)27)11-22-17(25)10-14-9-15(23-31-14)12-5-7-13(8-6-12)18(20)21/h5-8,14,16H,3-4,9-11H2,1-2H3,(H3,20,21)(H,22,25)(H,24,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair