Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50253780'   

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))	BDBM50253780 (CHEMBL517875 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)CN(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H34N4O4/c1-4-35-27(34)18-33(17-21-8-6-5-7-9-21)23-12-15-25-26(16-23)37-29(2,19-32(25)3)20-36-24-13-10-22(11-14-24)28(30)31/h5-16H,4,17-20H2,1-3H3,(H3,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Displacement of biotinylated fibrinogen from human alpha2b-beta3 receptor after 2 hrs by chemiluminescence assay				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
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