Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50427843'   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM50427843 (CHEMBL2326355) Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCCn1nncc1Cn1c(nc2ccccc2c1=O)-c1ccc(OS(O)(=O)=O)cc1 Show InChI InChI=1S/C36H31N7O10S2/c44-35-29-8-2-4-10-31(29)38-33(24-12-16-27(17-13-24)52-54(46,47)48)41(35)20-6-1-7-21-43-26(22-37-40-43)23-42-34(39-32-11-5-3-9-30(32)36(42)45)25-14-18-28(19-15-25)53-55(49,50)51/h2-5,8-19,22H,1,6-7,20-21,23H2,(H,46,47,48)(H,49,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry				J Med Chem 56: 2415-28 (2013) Article DOI: 10.1021/jm301757v BindingDB Entry DOI: 10.7270/Q27M0989
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