Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50058240'   

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))	BDBM50058240 (3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetra...) Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1 Show InChI InChI=1S/C18H27N5O4/c24-16(25)4-8-20-17(26)14-12-15-18(27)22(9-1-10-23(15)21-14)11-5-13-2-6-19-7-3-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058240 (3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetra...) Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1 Show InChI InChI=1S/C18H27N5O4/c24-16(25)4-8-20-17(26)14-12-15-18(27)22(9-1-10-23(15)21-14)11-5-13-2-6-19-7-3-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets				Bioorg Med Chem Lett 5: 475-480 (1995) Article DOI: 10.1016/0960-894X(95)00057-Z BindingDB Entry DOI: 10.7270/Q2N879RH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058240 (3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetra...) Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1 Show InChI InChI=1S/C18H27N5O4/c24-16(25)4-8-20-17(26)14-12-15-18(27)22(9-1-10-23(15)21-14)11-5-13-2-6-19-7-3-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058240 (3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetra...) Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1 Show InChI InChI=1S/C18H27N5O4/c24-16(25)4-8-20-17(26)14-12-15-18(27)22(9-1-10-23(15)21-14)11-5-13-2-6-19-7-3-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058240 (3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetra...) Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1 Show InChI InChI=1S/C18H27N5O4/c24-16(25)4-8-20-17(26)14-12-15-18(27)22(9-1-10-23(15)21-14)11-5-13-2-6-19-7-3-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of L-736,622 from purified resting Fibrinogen Receptor				J Med Chem 40: 1779-88 (1997) Article DOI: 10.1021/jm9608117 BindingDB Entry DOI: 10.7270/Q2222VDD
					More data for this Ligand-Target Pair