Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Antithrombin-III' and Ligand = 'BDBM50310306'   

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
Antithrombin-III (Homo sapiens (Human))	BDBM50310306 (CHEMBL611972 | N,N'-(ethane-1,2-diyl)bis(N-ethylbe...) Show SMILES CCN(CCN(CC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H24N2O4S2/c1-3-19(25(21,22)17-11-7-5-8-12-17)15-16-20(4-2)26(23,24)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Michigan University Curated by ChEMBL					Assay Description Inhibition of antithrombin-3 assessed as residual alpha-thrombin activity				Bioorg Med Chem Lett 20: 966-70 (2010) Article DOI: 10.1016/j.bmcl.2009.12.051 BindingDB Entry DOI: 10.7270/Q24M94P3
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