null

SMILES: OC1CCC(Nc2cccc(c2)C(=O)N2CCC(CCC(CC(O)=O)c3ccc4OCOc4c3)CC2)=NC1

InChI Key: InChIKey=PTSCCCCDDYXAFE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50153558   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153558 (3-Benzo[1,3]dioxol-5-yl-5-{1-[3-(5-hydroxy-1,4,5,6...) Show SMILES OC1CCC(Nc2cccc(c2)C(=O)N2CCC(CCC(CC(O)=O)c3ccc4OCOc4c3)CC2)=NC1 |c:39| Show InChI InChI=1S/C29H35N3O6/c33-24-7-9-27(30-17-24)31-23-3-1-2-22(14-23)29(36)32-12-10-19(11-13-32)4-5-21(16-28(34)35)20-6-8-25-26(15-20)38-18-37-25/h1-3,6,8,14-15,19,21,24,33H,4-5,7,9-13,16-18H2,(H,30,31)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	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 vitronectin binding to immobilized Alpha v 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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50153558 (3-Benzo[1,3]dioxol-5-yl-5-{1-[3-(5-hydroxy-1,4,5,6...) Show SMILES OC1CCC(Nc2cccc(c2)C(=O)N2CCC(CCC(CC(O)=O)c3ccc4OCOc4c3)CC2)=NC1 |c:39| Show InChI InChI=1S/C29H35N3O6/c33-24-7-9-27(30-17-24)31-23-3-1-2-22(14-23)29(36)32-12-10-19(11-13-32)4-5-21(16-28(34)35)20-6-8-25-26(15-20)38-18-37-25/h1-3,6,8,14-15,19,21,24,33H,4-5,7,9-13,16-18H2,(H,30,31)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	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