Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50427847'   

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))	BDBM50427847 (CHEMBL2326351) Show SMILES COc1cc(OS(O)(=O)=O)cc2oc(-c3ccc(OS(O)(=O)=O)c(OCc4cn(CCCCn5c(nc6ccccc6c5=O)-c5cccc(OS(O)(=O)=O)c5)nn4)c3)c(OS(O)(=O)=O)c(=O)c12 Show InChI InChI=1S/C37H31N5O21S4/c1-57-30-17-25(61-65(48,49)50)18-31-32(30)33(43)35(63-67(54,55)56)34(59-31)21-11-12-28(62-66(51,52)53)29(16-21)58-20-23-19-41(40-39-23)13-4-5-14-42-36(38-27-10-3-2-9-26(27)37(42)44)22-7-6-8-24(15-22)60-64(45,46)47/h2-3,6-12,15-19H,4-5,13-14,20H2,1H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)	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	>1.00E+6	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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