Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50078445'   

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))	BDBM50078445 ((S)-2-(Butane-1-sulfonylamino)-3-{[5-(2-piperidin-...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O Show InChI InChI=1S/C21H31N3O5S3/c1-2-3-10-32(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(31-19)11-15(30-18)5-4-14-6-8-22-9-7-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078445 ((S)-2-(Butane-1-sulfonylamino)-3-{[5-(2-piperidin-...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O Show InChI InChI=1S/C21H31N3O5S3/c1-2-3-10-32(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(31-19)11-15(30-18)5-4-14-6-8-22-9-7-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/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	n/a	3	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair