Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50427859'   

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))	BDBM50427859 (CHEMBL2326079) Show SMILES CC(=O)Oc1cc(OS(O)(=O)=O)cc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(O)cc(OS(O)(=O)=O)c2)nn1 Show InChI InChI=1S/C37H31N7O13S2/c1-22(45)55-27-15-24(17-29(19-27)57-59(52,53)54)34-38-32-10-4-2-8-30(32)36(47)43(34)13-7-6-12-42-20-25(40-41-42)21-44-35(39-33-11-5-3-9-31(33)37(44)48)23-14-26(46)18-28(16-23)56-58(49,50)51/h2-5,8-11,14-20,46H,6-7,12-13,21H2,1H3,(H,49,50,51)(H,52,53,54)	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	1.53E+5	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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