Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.5 BDBM50058853

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))	BDBM50058853 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC2CCCC2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H31N5O6/c24-21(25)16-7-5-15(6-8-16)18-11-17(34-28-18)12-20(29)26-13-19(22(30)31)27-23(32)33-10-9-14-3-1-2-4-14/h5-8,14,17,19H,1-4,9-13H2,(H3,24,25)(H,26,29)(H,27,32)(H,30,31)/t17?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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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