Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50153568'   

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))	BDBM50153568 (3-Benzo[1,3]dioxol-5-yl-3-({1-[3-(N''-pyridin-4-yl...) Show SMILES NC(NCc1ccncc1)=Nc1cccc(c1)C(=O)N1CCC(CC1)C(=O)NC(CC(O)=O)c1ccc2OCOc2c1 |w:10.11| Show InChI InChI=1S/C30H32N6O6/c31-30(33-17-19-6-10-32-11-7-19)34-23-3-1-2-22(14-23)29(40)36-12-8-20(9-13-36)28(39)35-24(16-27(37)38)21-4-5-25-26(15-21)42-18-41-25/h1-7,10-11,14-15,20,24H,8-9,12-13,16-18H2,(H,35,39)(H,37,38)(H3,31,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Antagonist activity at alpha2bbeta3 integrin receptor (unknown origin) by cell-free ELISA				J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50153568 (3-Benzo[1,3]dioxol-5-yl-3-({1-[3-(N''-pyridin-4-yl...) Show SMILES NC(NCc1ccncc1)=Nc1cccc(c1)C(=O)N1CCC(CC1)C(=O)NC(CC(O)=O)c1ccc2OCOc2c1 |w:10.11| Show InChI InChI=1S/C30H32N6O6/c31-30(33-17-19-6-10-32-11-7-19)34-23-3-1-2-22(14-23)29(40)36-12-8-20(9-13-36)28(39)35-24(16-27(37)38)21-4-5-25-26(15-21)42-18-41-25/h1-7,10-11,14-15,20,24H,8-9,12-13,16-18H2,(H,35,39)(H,37,38)(H3,31,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	56.4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human Biotinylated Fg binding to immobilized Alpha II beta-3				Bioorg Med Chem Lett 14: 5227-32 (2004) Article DOI: 10.1016/j.bmcl.2004.06.061 BindingDB Entry DOI: 10.7270/Q2TH8M5Z
					More data for this Ligand-Target Pair