Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50058860'   

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))	BDBM50058860 ((S)-2-Benzyloxycarbonylamino-3-{2-[3-(2-piperidin-...) Show SMILES OC(=O)[C@H](CNC(=O)CC1CC(CCC2CCNCC2)=NO1)NC(=O)OCc1ccccc1 |c:20| Show InChI InChI=1S/C23H32N4O6/c28-21(13-19-12-18(27-33-19)7-6-16-8-10-24-11-9-16)25-14-20(22(29)30)26-23(31)32-15-17-4-2-1-3-5-17/h1-5,16,19-20,24H,6-15H2,(H,25,28)(H,26,31)(H,29,30)/t19?,20-/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	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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