Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50058237'   

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))	BDBM50058237 ((S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-pipe...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(O)=O Show InChI InChI=1S/C22H36N6O6S/c1-2-3-13-35(33,34)26-18(22(31)32)15-24-20(29)17-14-19-21(30)27(10-4-11-28(19)25-17)12-7-16-5-8-23-9-6-16/h14,16,18,23,26H,2-13,15H2,1H3,(H,24,29)(H,31,32)/t18-/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	1.40	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of L-736,622 from purified resting Fibrinogen Receptor				J Med Chem 40: 1779-88 (1997) Article DOI: 10.1021/jm9608117 BindingDB Entry DOI: 10.7270/Q2222VDD
					More data for this Ligand-Target Pair