Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50004070'   

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))	BDBM50004070 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-benzyloxycar...) Show SMILES NCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C23H30N2O5/c24-14-6-1-2-7-15-29-20-12-10-18(11-13-20)16-21(22(26)27)25-23(28)30-17-19-8-4-3-5-9-19/h3-5,8-13,21H,1-2,6-7,14-17,24H2,(H,25,28)(H,26,27)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60E+4	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))	BDBM50004070 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-benzyloxycar...) Show SMILES NCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C23H30N2O5/c24-14-6-1-2-7-15-29-20-12-10-18(11-13-20)16-21(22(26)27)25-23(28)30-17-19-8-4-3-5-9-19/h3-5,8-13,21H,1-2,6-7,14-17,24H2,(H,25,28)(H,26,27)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60E+4	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