Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50004064'   

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))	BDBM50004064 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-hexanoylamin...) Show SMILES CCCCCC(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(O)=O Show InChI InChI=1S/C21H34N2O4/c1-2-3-6-9-20(24)23-19(21(25)26)16-17-10-12-18(13-11-17)27-15-8-5-4-7-14-22/h10-13,19H,2-9,14-16,22H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.				J Med Chem 35: 4640-2 (1993) BindingDB Entry DOI: 10.7270/Q2SF2V44
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004064 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-hexanoylamin...) Show SMILES CCCCCC(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(O)=O Show InChI InChI=1S/C21H34N2O4/c1-2-3-6-9-20(24)23-19(21(25)26)16-17-10-12-18(13-11-17)27-15-8-5-4-7-14-22/h10-13,19H,2-9,14-16,22H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair