Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 376.3 BDBM50058878

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50058878 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC(CC(O)=O)CC(O)=O)C1 |t:10| Show InChI InChI=1S/C17H20N4O6/c18-17(19)10-3-1-9(2-4-10)13-7-12(27-21-13)8-14(22)20-11(5-15(23)24)6-16(25)26/h1-4,11-12H,5-8H2,(H3,18,19)(H,20,22)(H,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
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